K781-1734 Screening compound: methyl 2-{[3-[(2-bromo-5-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}benzoate

K781-1734 Screening compound: methyl 2-{[3-[(2-bromo-5-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}benzoate
K781-1734 Screening compound: methyl 2-{[3-[(2-bromo-5-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1734
methyl 2-{[3-[(2-bromo-5-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}benzoate

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

K781-1734

Molecular Formula

C34H31BrN4O6 (C34 H31 BrN4 O6)

Compound Name

methyl 2-{[3-[(2-bromo-5-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}benzoate

IUPAC name

methyl 2-[3-(2-bromo-5-methoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamido]benzoate

SMILES

COC(c(cccc1)c1NC(c(cc1)cc(NC(c(cc(cc2)OC)c2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C34H31BrN4O6/c1-44-23-11-12-26(35)25(16-23)33(42)37-28-15-21(32(41)36-27-7-4-3-6-24(27)34(43)45-2)10-13-30(28)38-17-20-14-22(19-38)29-8-5-9-31(40)39(29)18-20/h3-13,15-16,20,22H,14,17-19H2,1-2H3,(H,36,41)(H,37,42)

InChI Key

UBZXFCAAUZFTPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

671.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-5.54

Polar Surface Area

92.593

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

K781-1734 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 K781-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1734?
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What is the minimum amount of K781-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1734
  • 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 K781-1734 available by request