F813-4492 Screening compound: N-(4-acetylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

F813-4492 Screening compound: N-(4-acetylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
F813-4492 Screening compound: N-(4-acetylphenyl)-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 F813-4492
N-(4-acetylphenyl)-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

F813-4492

Molecular Formula

C24H21N5O2S2 (C24 H21 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CSc1c2sc(N(CC3)Cc4c3cccc4)nc2ncn1)=O)=O

InChI

InChI=1S/C24H21N5O2S2/c1-15(30)16-6-8-19(9-7-16)27-20(31)13-32-23-21-22(25-14-26-23)28-24(33-21)29-11-10-17-4-2-3-5-18(17)12-29/h2-9,14H,10-13H2,1H3,(H,27,31)

InChI Key

FSRDCBBKPVFSRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.14

Polar Surface Area

70.860

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with F813-4492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4492?
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What is the minimum amount of F813-4492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4492
  • 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 F813-4492 available by request