F813-4965 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide

F813-4965 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
F813-4965 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-4965
2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-[(2,3-dimethoxyphenyl)methyl]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

F813-4965

Molecular Formula

C24H25N5O3S2 (C24 H25 N5 O3 S2)

Compound Name

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

IUPAC name

2-({2-[benzyl(methyl)amino]-[13]thiazolo[45-d]pyrimidin-7-yl}sulfanyl)-N-[(23-dimethoxyphenyl)methyl]acetamide

SMILES

CN(Cc1ccccc1)c1nc2ncnc(SCC(NCc(cccc3OC)c3OC)=O)c2s1

InChI

InChI=1S/C24H25N5O3S2/c1-29(13-16-8-5-4-6-9-16)24-28-22-21(34-24)23(27-15-26-22)33-14-19(30)25-12-17-10-7-11-18(31-2)20(17)32-3/h4-11,15H,12-14H2,1-3H3,(H,25,30)

InChI Key

UQFSMVUMLUMBFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.48

Polar Surface Area

73.543

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F813-4965 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F813-4965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4965?
Check Price and Availability of F813-4965, 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 F813-4965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4965
  • 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 F813-4965 available by request