K784-8689 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(4-chlorophenethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-8689 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(4-chlorophenethyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-8689 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(4-chlorophenethyl)-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 K784-8689
3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(4-chlorophenethyl)-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

K784-8689

Molecular Formula

C33H31Cl2N5O3 (C33 H31 Cl2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(Nc(cc2)ccc2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C33H31Cl2N5O3/c34-25-7-4-21(5-8-25)14-15-36-32(42)23-6-13-30(28(17-23)38-33(43)37-27-11-9-26(35)10-12-27)39-18-22-16-24(20-39)29-2-1-3-31(41)40(29)19-22/h1-13,17,22,24H,14-16,18-20H2,(H,36,42)(H2,37,38,43)

InChI Key

CJNMDDKSIYADNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.55

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

6.485

Distribution Coefficient, logD

6.484

Water Solubility, LogSw

-6.51

Polar Surface Area

74.949

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K784-8689 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 K784-8689 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K784-8689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8689
  • 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 K784-8689 available by request