K784-8027 Screening compound: N~1~-(sec-butyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-8027 Screening compound: N~1~-(sec-butyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-8027 Screening compound: N~1~-(sec-butyl)-3-{[(4-ethylanilino)carbonyl]amino}-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 K784-8027
N~1~-(sec-butyl)-3-{[(4-ethylanilino)carbonyl]amino}-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

K784-8027

Molecular Formula

C31H37N5O3 (C31 H37 N5 O3)

Compound Name

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

IUPAC name

N-(butan-2-yl)-3-{[(4-ethylphenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCC(C)NC(c(cc1)cc(NC(Nc2ccc(CC)cc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C31H37N5O3/c1-4-20(3)32-30(38)23-11-14-28(26(16-23)34-31(39)33-25-12-9-21(5-2)10-13-25)35-17-22-15-24(19-35)27-7-6-8-29(37)36(27)18-22/h6-14,16,20,22,24H,4-5,15,17-19H2,1-3H3,(H,32,38)(H2,33,34,39)

InChI Key

AXZKTWSVJULINH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.571

Water Solubility, LogSw

-5.36

Polar Surface Area

74.820

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.70

K784-8027 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

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:
  • Cancer
  • Nervous system
  • 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 K784-8027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8027?
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What is the minimum amount of K784-8027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8027
  • 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 K784-8027 available by request