K781-1929 Screening compound: dimethyl 5-{[3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate

K781-1929 Screening compound: dimethyl 5-{[3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate
K781-1929 Screening compound: dimethyl 5-{[3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1929
dimethyl 5-{[3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate

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

K781-1929

Molecular Formula

C35H31ClN4O7 (C35 H31 ClN4 O7)

Compound Name

dimethyl 5-{[3-[(2-chlorobenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate

IUPAC name

13-dimethyl 5-[3-(2-chlorobenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cc2)cc(NC(c(cccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C35H31ClN4O7/c1-46-34(44)22-13-23(35(45)47-2)15-25(14-22)37-32(42)21-10-11-30(28(16-21)38-33(43)26-6-3-4-7-27(26)36)39-17-20-12-24(19-39)29-8-5-9-31(41)40(29)18-20/h3-11,13-16,20,24H,12,17-19H2,1-2H3,(H,37,42)(H,38,43)

InChI Key

MYUJXFMFFRFVQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.11

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.186

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.87

Polar Surface Area

106.921

Acid Dissociation Constant (pKa)

6.13

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.90

K781-1929 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 K781-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1929?
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What is the minimum amount of K781-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1929
  • 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 K781-1929 available by request