F813-5013 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

F813-5013 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
F813-5013 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-5013
2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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

F813-5013

Molecular Formula

C22H20ClN5OS2 (C22 H20 ClN5 OS2)

Compound Name

2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

IUPAC name

2-({2-[benzyl(methyl)amino]-[13]thiazolo[45-d]pyrimidin-7-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

SMILES

Cc(c(NC(CSc1ncnc2c1sc(N(C)Cc1ccccc1)n2)=O)ccc1)c1Cl

InChI

InChI=1S/C22H20ClN5OS2/c1-14-16(23)9-6-10-17(14)26-18(29)12-30-21-19-20(24-13-25-21)27-22(31-19)28(2)11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,26,29)

InChI Key

YNRXXEXOLFDLSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.79

Polar Surface Area

56.176

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F813-5013 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 F813-5013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-5013?
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What is the minimum amount of F813-5013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-5013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-5013
  • 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 F813-5013 available by request