C200-2002 Screening compound: 4-[2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

C200-2002 Screening compound: 4-[2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide
C200-2002 Screening compound: 4-[2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2002
4-[2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

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

C200-2002

Molecular Formula

C28H28N4O2S2 (C28 H28 N4 O2 S2)

Compound Name

4-[2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

IUPAC name

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

SMILES

N#Cc1c(CSC(N(CCCC(NC2CCCCC2)=O)C2=O)=Nc3c2sc2c3cccc2)cccc1

InChI

InChI=1S/C28H28N4O2S2/c29-17-19-9-4-5-10-20(19)18-35-28-31-25-22-13-6-7-14-23(22)36-26(25)27(34)32(28)16-8-15-24(33)30-21-11-2-1-3-12-21/h4-7,9-10,13-14,21H,1-3,8,11-12,15-16,18H2,(H,30,33)

InChI Key

OKHYUYNPSJVJBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.39

Polar Surface Area

65.497

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C200-2002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2002?
Check Price and Availability of C200-2002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2002
  • 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 C200-2002 available by request