K784-9128 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide

K784-9128 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide
K784-9128 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9128
3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide

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

K784-9128

Molecular Formula

C35H37N5O2S (C35 H37 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(Nc(cc(cc2)C(NCCc3ccccc3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)cc(C)c1

InChI

InChI=1S/C35H37N5O2S/c1-23-15-24(2)17-29(16-23)37-35(43)38-30-19-27(34(42)36-14-13-25-7-4-3-5-8-25)11-12-32(30)39-20-26-18-28(22-39)31-9-6-10-33(41)40(31)21-26/h3-12,15-17,19,26,28H,13-14,18,20-22H2,1-2H3,(H,36,42)(H2,37,38,43)

InChI Key

JKKXNXOQGDOPFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.357

Distribution Coefficient, logD

6.357

Water Solubility, LogSw

-5.49

Polar Surface Area

61.468

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K784-9128 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-9128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9128?
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What is the minimum amount of K784-9128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9128
  • 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 K784-9128 available by request