F399-0532 Screening compound: 3-(2-ethoxybenzyl)-2-[(4-vinylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0532 Screening compound: 3-(2-ethoxybenzyl)-2-[(4-vinylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0532 Screening compound: 3-(2-ethoxybenzyl)-2-[(4-vinylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0532
3-(2-ethoxybenzyl)-2-[(4-vinylbenzyl)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

F399-0532

Molecular Formula

C27H23N3O2S2 (C27 H23 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CN(C2=O)C(SCc3ccc(C=C)cc3)=Nc3c2sc2ncccc23)cccc1

InChI

InChI=1S/C27H23N3O2S2/c1-3-18-11-13-19(14-12-18)17-33-27-29-23-21-9-7-15-28-25(21)34-24(23)26(31)30(27)16-20-8-5-6-10-22(20)32-4-2/h3,5-15H,1,4,16-17H2,2H3

InChI Key

RFXCNFZNSRQUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.71

Polar Surface Area

40.882

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with F399-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0532?
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What is the minimum amount of F399-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0532
  • 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 F399-0532 available by request