C200-3475 Screening compound: 7-acetyl-2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

C200-3475 Screening compound: 7-acetyl-2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
C200-3475 Screening compound: 7-acetyl-2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3475
7-acetyl-2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-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

C200-3475

Molecular Formula

C25H22ClN3O2S2 (C25 H22 ClN3 O2 S2)

Compound Name

7-acetyl-2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-acetyl-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(N(CC1)Cc2c1c(C(N(c1c(C)cccc1)C(SCc(cccc1)c1Cl)=N1)=O)c1s2)=O

InChI

InChI=1S/C25H22ClN3O2S2/c1-15-7-3-6-10-20(15)29-24(31)22-18-11-12-28(16(2)30)13-21(18)33-23(22)27-25(29)32-14-17-8-4-5-9-19(17)26/h3-10H,11-14H2,1-2H3

InChI Key

PBSMGPNDMLAGHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.74

Polar Surface Area

41.811

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C200-3475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3475?
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What is the minimum amount of C200-3475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3475
  • 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 C200-3475 available by request