F399-0752 Screening compound: 3-butyl-2-[(2-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0752 Screening compound: 3-butyl-2-[(2-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0752 Screening compound: 3-butyl-2-[(2-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0752
3-butyl-2-[(2-fluorobenzyl)sulfanyl]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

F399-0752

Molecular Formula

C20H18FN3OS2 (C20 H18 FN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C1=O)C(SCc(cccc2)c2F)=Nc2c1sc1ncccc12

InChI

InChI=1S/C20H18FN3OS2/c1-2-3-11-24-19(25)17-16(14-8-6-10-22-18(14)27-17)23-20(24)26-12-13-7-4-5-9-15(13)21/h4-10H,2-3,11-12H2,1H3

InChI Key

FDCCBNPNWZCTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

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

5.202

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-5.07

Polar Surface Area

33.921

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F399-0752 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 F399-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0752?
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What is the minimum amount of F399-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0752
  • 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 F399-0752 available by request