F399-0220 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(2-chlorobenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0220 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(2-chlorobenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0220 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(2-chlorobenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0220
2-[(4-bromobenzyl)sulfanyl]-3-(2-chlorobenzyl)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

F399-0220

Molecular Formula

C23H15BrClN3OS2 (C23 H15 BrClN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc(cccc2)c2Cl)C(SCc(cc2)ccc2Br)=Nc2c1sc1c2cccn1

InChI

InChI=1S/C23H15BrClN3OS2/c24-16-9-7-14(8-10-16)13-30-23-27-19-17-5-3-11-26-21(17)31-20(19)22(29)28(23)12-15-4-1-2-6-18(15)25/h1-11H,12-13H2

InChI Key

NGJYDAIVDRUTSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.88

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

6.294

Distribution Coefficient, logD

6.294

Water Solubility, LogSw

-6.19

Polar Surface Area

33.671

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F399-0220 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 F399-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0220?
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What is the minimum amount of F399-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0220
  • 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 F399-0220 available by request