F813-4498 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide

F813-4498 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
F813-4498 Screening compound: N-(2,5-dimethoxyphenyl)-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 F813-4498
N-(2,5-dimethoxyphenyl)-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

F813-4498

Molecular Formula

C24H23N5O3S2 (C24 H23 N5 O3 S2)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{[2-(1234-tetrahydroisoquinolin-2-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamide

SMILES

COc(cc1)cc(NC(CSc2c3sc(N(CC4)Cc5c4cccc5)nc3ncn2)=O)c1OC

InChI

InChI=1S/C24H23N5O3S2/c1-31-17-7-8-19(32-2)18(11-17)27-20(30)13-33-23-21-22(25-14-26-23)28-24(34-21)29-10-9-15-5-3-4-6-16(15)12-29/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,27,30)

InChI Key

SSHHWFQKTDQZCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.40

Polar Surface Area

71.510

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F813-4498 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 F813-4498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4498?
Check Price and Availability of F813-4498, 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 F813-4498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4498
  • 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 F813-4498 available by request