K784-9529 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-9529 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-9529 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3,5-dimethylanilino)carbothioyl]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 K784-9529
N~1~-(2-chlorobenzyl)-3-{[(3,5-dimethylanilino)carbothioyl]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

K784-9529

Molecular Formula

C34H34ClN5O2S (C34 H34 ClN5 O2 S)

Compound Name

N~1~-(2-chlorobenzyl)-3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-{[(35-dimethylphenyl)carbamothioyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

Cc1cc(NC(Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)cc(C)c1

InChI

InChI=1S/C34H34ClN5O2S/c1-21-12-22(2)14-27(13-21)37-34(43)38-29-16-24(33(42)36-17-25-6-3-4-7-28(25)35)10-11-31(29)39-18-23-15-26(20-39)30-8-5-9-32(41)40(30)19-23/h3-14,16,23,26H,15,17-20H2,1-2H3,(H,36,42)(H2,37,38,43)

InChI Key

VIFOQONXPFANTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.205

Distribution Coefficient, logD

7.205

Water Solubility, LogSw

-6.29

Polar Surface Area

61.627

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K784-9529 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-9529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9529?
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What is the minimum amount of K784-9529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9529
  • 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 K784-9529 available by request