F399-0664 Screening compound: 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0664 Screening compound: 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0664 Screening compound: 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0664
2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)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

F399-0664

Molecular Formula

C25H18ClN3O2S2 (C25 H18 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C2=O)C(SCC(c(cccc3)c3Cl)=O)=Nc3c2sc2c3cccn2)cc1

InChI

InChI=1S/C25H18ClN3O2S2/c1-15-8-10-16(11-9-15)13-29-24(31)22-21(18-6-4-12-27-23(18)33-22)28-25(29)32-14-20(30)17-5-2-3-7-19(17)26/h2-12H,13-14H2,1H3

InChI Key

YVLPYNNMEDAIQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.833

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.83

Polar Surface Area

46.918

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F399-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0664?
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What is the minimum amount of F399-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0664
  • 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 F399-0664 available by request