C200-9181 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

C200-9181 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
C200-9181 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9181
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

C200-9181

Molecular Formula

C26H20ClN3O2S2 (C26 H20 ClN3 O2 S2)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

4-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-[(4-ethylphenyl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCc1ccc(CN(C2=O)C(SCC(c(cc3)ccc3Cl)=O)=Nc3c2sc2c3cccn2)cc1

InChI

InChI=1S/C26H20ClN3O2S2/c1-2-16-5-7-17(8-6-16)14-30-25(32)23-22(20-4-3-13-28-24(20)34-23)29-26(30)33-15-21(31)18-9-11-19(27)12-10-18/h3-13H,2,14-15H2,1H3

InChI Key

ASTNXIYSFRKUMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.305

Distribution Coefficient, logD

6.305

Water Solubility, LogSw

-6.26

Polar Surface Area

46.918

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C200-9181 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C200-9181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9181
  • 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 C200-9181 available by request