K784-8690 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2-thienylmethyl)benzamide

K784-8690 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2-thienylmethyl)benzamide
K784-8690 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2-thienylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8690
3-{[(4-chloroanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2-thienylmethyl)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

K784-8690

Molecular Formula

C30H28ClN5O3S (C30 H28 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(Nc(cc2)ccc2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCc1cccs1

InChI

InChI=1S/C30H28ClN5O3S/c31-22-7-9-23(10-8-22)33-30(39)34-25-14-20(29(38)32-15-24-3-2-12-40-24)6-11-27(25)35-16-19-13-21(18-35)26-4-1-5-28(37)36(26)17-19/h1-12,14,19,21H,13,15-18H2,(H,32,38)(H2,33,34,39)

InChI Key

JVLDGQHPNDOXBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.931

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-6.31

Polar Surface Area

76.126

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

K784-8690 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-8690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8690?
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What is the minimum amount of K784-8690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8690
  • 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 K784-8690 available by request