K784-9070 Screening compound: N~1~-cyclopentyl-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-9070 Screening compound: N~1~-cyclopentyl-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-9070 Screening compound: N~1~-cyclopentyl-3-({[3-(methylsulfanyl)anilino]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 K784-9070
N~1~-cyclopentyl-3-({[3-(methylsulfanyl)anilino]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

K784-9070

Molecular Formula

C31H35N5O2S2 (C31 H35 N5 O2 S2)

Compound Name

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

IUPAC name

N-cyclopentyl-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CSc1cccc(NC(Nc(cc(cc2)C(NC3CCCC3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)c1

InChI

InChI=1S/C31H35N5O2S2/c1-40-25-9-4-8-24(16-25)33-31(39)34-26-15-21(30(38)32-23-6-2-3-7-23)12-13-28(26)35-17-20-14-22(19-35)27-10-5-11-29(37)36(27)18-20/h4-5,8-13,15-16,20,22-23H,2-3,6-7,14,17-19H2,1H3,(H,32,38)(H2,33,34,39)

InChI Key

JMDCFEREQBTBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.069

Distribution Coefficient, logD

6.069

Water Solubility, LogSw

-5.43

Polar Surface Area

61.718

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.70

K784-9070 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 K784-9070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9070?
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What is the minimum amount of K784-9070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9070
  • 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 K784-9070 available by request