C200-4236 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C200-4236 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C200-4236 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4236
N~1~-(2-chlorobenzyl)-2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

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

C200-4236

Molecular Formula

C26H19ClFN3O3S (C26 H19 ClFN3 O3 S)

Compound Name

N~1~-(2-chlorobenzyl)-2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{5-[(4-fluorophenyl)methyl]-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl}acetamide

SMILES

O=C(CN(c1c(C(N2Cc(cc3)ccc3F)=O)sc3c1cccc3)C2=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C26H19ClFN3O3S/c27-20-7-3-1-5-17(20)13-29-22(32)15-30-23-19-6-2-4-8-21(19)35-24(23)25(33)31(26(30)34)14-16-9-11-18(28)12-10-16/h1-12H,13-15H2,(H,29,32)

InChI Key

WSZJRGCBFMXQQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.95

Polar Surface Area

57.642

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C200-4236 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-4236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4236?
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What is the minimum amount of C200-4236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4236
  • 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 C200-4236 available by request