F396-0777 Screening compound: 2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide

F396-0777 Screening compound: 2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide
F396-0777 Screening compound: 2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0777
2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide

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

F396-0777

Molecular Formula

C23H21ClN4O2S2 (C23 H21 ClN4 O2 S2)

Compound Name

2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide

IUPAC name

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

SMILES

O=C(CSC(N(Cc(cc1)ccc1Cl)C1=O)=Nc2c1sc1c2cccn1)NC1CCCC1

InChI

InChI=1S/C23H21ClN4O2S2/c24-15-9-7-14(8-10-15)12-28-22(30)20-19(17-6-3-11-25-21(17)32-20)27-23(28)31-13-18(29)26-16-4-1-2-5-16/h3,6-11,16H,1-2,4-5,12-13H2,(H,26,29)

InChI Key

VFFRFMRIXBHIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-5.04

Polar Surface Area

58.234

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with F396-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0777?
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What is the minimum amount of F396-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0777
  • 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 F396-0777 available by request