F399-0272 Screening compound: 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0272 Screening compound: 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0272 Screening compound: 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0272
2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-phenethylpyrido[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

F399-0272

Molecular Formula

C24H17ClFN3OS2 (C24 H17 ClFN3 OS2)

Compound Name

2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

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

SMILES

O=C1N(CCc2ccccc2)C(SCc(ccc(F)c2)c2Cl)=Nc2c1sc1c2cccn1

InChI

InChI=1S/C24H17ClFN3OS2/c25-19-13-17(26)9-8-16(19)14-31-24-28-20-18-7-4-11-27-22(18)32-21(20)23(30)29(24)12-10-15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2

InChI Key

CLMPOHNSHUXOJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-6.28

Polar Surface Area

33.650

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F399-0272 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F399-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0272?
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What is the minimum amount of F399-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0272
  • 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 F399-0272 available by request