K781-1425 Screening compound: N~1~-[5-({[2-(benzylsulfanyl)ethyl]amino}carbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

K781-1425 Screening compound: N~1~-[5-({[2-(benzylsulfanyl)ethyl]amino}carbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide
K781-1425 Screening compound: N~1~-[5-({[2-(benzylsulfanyl)ethyl]amino}carbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1425
N~1~-[5-({[2-(benzylsulfanyl)ethyl]amino}carbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-1425

Molecular Formula

C35H35BrN4O4S (C35 H35 BrN4 O4 S)

Compound Name

N~1~-[5-({[2-(benzylsulfanyl)ethyl]amino}carbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

IUPAC name

N-[2-(benzylsulfanyl)ethyl]-3-(2-bromo-5-methoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc(cc1)cc(C(Nc(cc(cc2)C(NCCSCc3ccccc3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1Br

InChI

InChI=1S/C35H35BrN4O4S/c1-44-27-11-12-29(36)28(18-27)35(43)38-30-17-25(34(42)37-14-15-45-22-23-6-3-2-4-7-23)10-13-32(30)39-19-24-16-26(21-39)31-8-5-9-33(41)40(31)20-24/h2-13,17-18,24,26H,14-16,19-22H2,1H3,(H,37,42)(H,38,43)

InChI Key

MZTKHSAHFHXECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

687.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.987

Distribution Coefficient, logD

5.676

Water Solubility, LogSw

-5.50

Polar Surface Area

73.281

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K781-1425 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1425?
Check Price and Availability of K781-1425, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1425
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K781-1425 available by request