F813-4502 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

F813-4502 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
F813-4502 Screening compound: N-(3-fluoro-4-methylphenyl)-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 F813-4502
N-(3-fluoro-4-methylphenyl)-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

F813-4502

Molecular Formula

C23H20FN5OS2 (C23 H20 FN5 OS2)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-{[2-(1234-tetrahydroisoquinolin-2-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamide

SMILES

Cc(ccc(NC(CSc1c2sc(N(CC3)Cc4c3cccc4)nc2ncn1)=O)c1)c1F

InChI

InChI=1S/C23H20FN5OS2/c1-14-6-7-17(10-18(14)24)27-19(30)12-31-22-20-21(25-13-26-22)28-23(32-20)29-9-8-15-4-2-3-5-16(15)11-29/h2-7,10,13H,8-9,11-12H2,1H3,(H,27,30)

InChI Key

AIYYQZPKHAPYSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.566

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.41

Polar Surface Area

57.034

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F813-4502 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F813-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4502?
Check Price and Availability of F813-4502, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F813-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4502
  • 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 F813-4502 available by request