F813-4581 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

F813-4581 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
F813-4581 Screening compound: N-(3-chloro-2-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 F813-4581
N-(3-chloro-2-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

F813-4581

Molecular Formula

C23H20ClN5OS2 (C23 H20 ClN5 OS2)

Compound Name

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

SMILES

Cc(c(NC(CSc1ncnc2c1sc(N(CC1)Cc3c1cccc3)n2)=O)ccc1)c1Cl

InChI

InChI=1S/C23H20ClN5OS2/c1-14-17(24)7-4-8-18(14)27-19(30)12-31-22-20-21(25-13-26-22)28-23(32-20)29-10-9-15-5-2-3-6-16(15)11-29/h2-8,13H,9-12H2,1H3,(H,27,30)

InChI Key

VJUPISKNWONBBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.03

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

5.724

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.82

Polar Surface Area

56.336

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with F813-4581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4581?
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What is the minimum amount of F813-4581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4581
  • 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 F813-4581 available by request