F399-0186 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0186 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0186 Screening compound: 2-[(4-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0186
2-[(4-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)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

F399-0186

Molecular Formula

C24H18FN3O2S2 (C24 H18 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(C2=O)C(SCc(cc3)ccc3F)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C24H18FN3O2S2/c1-30-18-10-6-15(7-11-18)13-28-23(29)21-20(19-3-2-12-26-22(19)32-21)27-24(28)31-14-16-4-8-17(25)9-5-16/h2-12H,13-14H2,1H3

InChI Key

ZUJFGYUSYWCQBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.83

Polar Surface Area

41.215

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with F399-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0186?
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What is the minimum amount of F399-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0186
  • 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 F399-0186 available by request