K781-0932 Screening compound: N~3~-[5-[(isobutylamino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

K781-0932 Screening compound: N~3~-[5-[(isobutylamino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide
K781-0932 Screening compound: N~3~-[5-[(isobutylamino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0932
N~3~-[5-[(isobutylamino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

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

K781-0932

Molecular Formula

C32H32N4O5 (C32 H32 N4 O5)

Compound Name

N~3~-[5-[(isobutylamino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-{5-[(2-methylpropyl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H32N4O5/c1-19(2)15-33-30(38)22-10-11-27(35-16-20-12-23(18-35)26-7-5-9-29(37)36(26)17-20)25(14-22)34-31(39)24-13-21-6-3-4-8-28(21)41-32(24)40/h3-11,13-14,19-20,23H,12,15-18H2,1-2H3,(H,33,38)(H,34,39)

InChI Key

ZWVBYNJGRHDXBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-4.38

Polar Surface Area

87.089

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

K781-0932 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-0932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0932?
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What is the minimum amount of K781-0932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0932
  • 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 K781-0932 available by request