C200-4255 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C200-4255 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C200-4255 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-(2-furylmethyl)-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 C200-4255
N~1~-(4-chlorobenzyl)-2-[3-(2-furylmethyl)-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

C200-4255

Molecular Formula

C24H18ClN3O4S (C24 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{5-[(furan-2-yl)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(N2Cc3ccco3)=O)sc3c1cccc3)C2=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C24H18ClN3O4S/c25-16-9-7-15(8-10-16)12-26-20(29)14-27-21-18-5-1-2-6-19(18)33-22(21)23(30)28(24(27)31)13-17-4-3-11-32-17/h1-11H,12-14H2,(H,26,29)

InChI Key

RJTMADKPFKESDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.98

Polar Surface Area

65.391

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C200-4255 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-4255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4255?
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What is the minimum amount of C200-4255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4255
  • 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 C200-4255 available by request