C200-0558 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C200-0558 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C200-0558 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0558
1-(2-chloro-4-fluorobenzyl)-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

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

C200-0558

Molecular Formula

C24H20ClFN2O2S (C24 H20 ClFN2 O2 S)

Compound Name

1-(2-chloro-4-fluorobenzyl)-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

9-[(2-chloro-4-fluorophenyl)methyl]-11-(34-dimethylphenyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-diene-1012-dione

SMILES

Cc(cc1)c(C)cc1N(C(c1c(N2Cc(ccc(F)c3)c3Cl)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C24H20ClFN2O2S/c1-13-6-9-17(10-14(13)2)28-22(29)21-18-4-3-5-20(18)31-23(21)27(24(28)30)12-15-7-8-16(26)11-19(15)25/h6-11H,3-5,12H2,1-2H3

InChI Key

VZIJCYXIAOORCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-6.47

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C200-0558 in Drug Discovery

Included in Screening Libraries

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 C200-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0558?
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What is the minimum amount of C200-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0558
  • 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 C200-0558 available by request