K781-1430 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-bromobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K781-1430 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-bromobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K781-1430 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-bromobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1430
N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-bromobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K781-1430

Molecular Formula

C34H33BrN4O3S (C34 H33 BrN4 O3 S)

Compound Name

N~1~-[2-(benzylsulfanyl)ethyl]-3-[(2-bromobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(c(cccc2)c2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCSCc1ccccc1

InChI

InChI=1S/C34H33BrN4O3S/c35-28-10-5-4-9-27(28)34(42)37-29-18-25(33(41)36-15-16-43-22-23-7-2-1-3-8-23)13-14-31(29)38-19-24-17-26(21-38)30-11-6-12-32(40)39(30)20-24/h1-14,18,24,26H,15-17,19-22H2,(H,36,41)(H,37,42)

InChI Key

JOZSKKOZGFNPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.676

Distribution Coefficient, logD

4.957

Water Solubility, LogSw

-5.87

Polar Surface Area

65.737

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K781-1430 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-1430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1430?
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What is the minimum amount of K781-1430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1430
  • 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 K781-1430 available by request