K781-0710 Screening compound: 2-bromo-N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-methoxybenzamide

K781-0710 Screening compound: 2-bromo-N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-methoxybenzamide
K781-0710 Screening compound: 2-bromo-N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0710
2-bromo-N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-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

K781-0710

Molecular Formula

C32H28BrClN4O4 (C32 H28 BrClN4 O4)

Compound Name

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

IUPAC name

3-(2-bromo-5-methoxybenzamido)-N-(4-chlorophenyl)-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(Nc(cc3)ccc3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1Br

InChI

InChI=1S/C32H28BrClN4O4/c1-42-24-10-11-26(33)25(15-24)32(41)36-27-14-20(31(40)35-23-8-6-22(34)7-9-23)5-12-29(27)37-16-19-13-21(18-37)28-3-2-4-30(39)38(28)17-19/h2-12,14-15,19,21H,13,16-18H2,1H3,(H,35,40)(H,36,41)

InChI Key

FGFAWKRFTCETKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

647.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.457

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-6.22

Polar Surface Area

72.117

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

K781-0710 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0710?
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What is the minimum amount of K781-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0710
  • 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 K781-0710 available by request