C200-2011 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

C200-2011 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
C200-2011 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2011
N~1~-cyclohexyl-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

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

C200-2011

Molecular Formula

C30H34N4O3S2 (C30 H34 N4 O3 S2)

Compound Name

N~1~-cyclohexyl-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

IUPAC name

N-cyclohexyl-4-{4-[({[(4-methylphenyl)methyl]carbamoyl}methyl)sulfanyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}butanamide

SMILES

Cc1ccc(CNC(CSC(N(CCCC(NC2CCCCC2)=O)C2=O)=Nc3c2sc2c3cccc2)=O)cc1

InChI

InChI=1S/C30H34N4O3S2/c1-20-13-15-21(16-14-20)18-31-26(36)19-38-30-33-27-23-10-5-6-11-24(23)39-28(27)29(37)34(30)17-7-12-25(35)32-22-8-3-2-4-9-22/h5-6,10-11,13-16,22H,2-4,7-9,12,17-19H2,1H3,(H,31,36)(H,32,35)

InChI Key

QSAGZXOFYZPAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-4.59

Polar Surface Area

72.912

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C200-2011 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-2011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2011?
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What is the minimum amount of C200-2011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2011
  • 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 C200-2011 available by request