K784-7920 Screening compound: 3-{[(4-ethylanilino)carbonyl]amino}-N~1~-isopentyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-7920 Screening compound: 3-{[(4-ethylanilino)carbonyl]amino}-N~1~-isopentyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-7920 Screening compound: 3-{[(4-ethylanilino)carbonyl]amino}-N~1~-isopentyl-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 K784-7920
3-{[(4-ethylanilino)carbonyl]amino}-N~1~-isopentyl-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

K784-7920

Molecular Formula

C32H39N5O3 (C32 H39 N5 O3)

Compound Name

3-{[(4-ethylanilino)carbonyl]amino}-N~1~-isopentyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-{[(4-ethylphenyl)carbamoyl]amino}-N-(3-methylbutyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(NCCC(C)C)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H39N5O3/c1-4-22-8-11-26(12-9-22)34-32(40)35-27-17-24(31(39)33-15-14-21(2)3)10-13-29(27)36-18-23-16-25(20-36)28-6-5-7-30(38)37(28)19-23/h5-13,17,21,23,25H,4,14-16,18-20H2,1-3H3,(H,33,39)(H2,34,35,40)

InChI Key

AXHBISMFIVYFPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.319

Distribution Coefficient, logD

6.318

Water Solubility, LogSw

-5.47

Polar Surface Area

75.220

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

K784-7920 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Nucleic Acid Ligands (8311 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7920?
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What is the minimum amount of K784-7920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7920
  • 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 K784-7920 available by request