F399-0687 Screening compound: 2-[(3-bromobenzyl)sulfanyl]-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0687 Screening compound: 2-[(3-bromobenzyl)sulfanyl]-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0687 Screening compound: 2-[(3-bromobenzyl)sulfanyl]-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0687
2-[(3-bromobenzyl)sulfanyl]-3-(4-methylbenzyl)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

F399-0687

Molecular Formula

C24H18BrN3OS2 (C24 H18 BrN3 OS2)

Compound Name

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

IUPAC name

4-{[(3-bromophenyl)methyl]sulfanyl}-5-[(4-methylphenyl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1ccc(CN(C2=O)C(SCc3cccc(Br)c3)=Nc3c2sc2c3cccn2)cc1

InChI

InChI=1S/C24H18BrN3OS2/c1-15-7-9-16(10-8-15)13-28-23(29)21-20(19-6-3-11-26-22(19)31-21)27-24(28)30-14-17-4-2-5-18(25)12-17/h2-12H,13-14H2,1H3

InChI Key

FXOSTFKSHNKJBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.46

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

6.388

Distribution Coefficient, logD

6.388

Water Solubility, LogSw

-5.66

Polar Surface Area

33.671

Acid Dissociation Constant (pKa)

28.80

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 F399-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0687?
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What is the minimum amount of F399-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0687
  • 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 F399-0687 available by request