F813-4524 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

F813-4524 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
F813-4524 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-4524
N-(5-chloro-2-methoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

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

F813-4524

Molecular Formula

C23H20ClN5O2S2 (C23 H20 ClN5 O2 S2)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{[2-(1234-tetrahydroisoquinolin-2-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1ncnc2c1sc(N(CC1)Cc3c1cccc3)n2)=O

InChI

InChI=1S/C23H20ClN5O2S2/c1-31-18-7-6-16(24)10-17(18)27-19(30)12-32-22-20-21(25-13-26-22)28-23(33-20)29-9-8-14-4-2-3-5-15(14)11-29/h2-7,10,13H,8-9,11-12H2,1H3,(H,27,30)

InChI Key

MXJCJYCQTXMHGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.50

Polar Surface Area

63.966

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F813-4524 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F813-4524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4524?
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What is the minimum amount of F813-4524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4524
  • 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 F813-4524 available by request