F399-0236 Screening compound: 3-(4-fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0236 Screening compound: 3-(4-fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0236 Screening compound: 3-(4-fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0236
3-(4-fluorobenzyl)-2-[(4-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

F399-0236

Molecular Formula

C23H15F2N3OS2 (C23 H15 F2 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc(cc2)ccc2F)C(SCc(cc2)ccc2F)=Nc2c1sc1ncccc12

InChI

InChI=1S/C23H15F2N3OS2/c24-16-7-3-14(4-8-16)12-28-22(29)20-19(18-2-1-11-26-21(18)31-20)27-23(28)30-13-15-5-9-17(25)10-6-15/h1-11H,12-13H2

InChI Key

MPPHQNNXOYVYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.035

Distribution Coefficient, logD

5.035

Water Solubility, LogSw

-5.07

Polar Surface Area

33.671

Acid Dissociation Constant (pKa)

31.21

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with F399-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0236?
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What is the minimum amount of F399-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0236
  • 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 F399-0236 available by request