P161-0026 Screening compound: 6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

P161-0026 Screening compound: 6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
P161-0026 Screening compound: 6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P161-0026
6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

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

P161-0026

Molecular Formula

C14H9ClFN5O3S (C14 H9 ClFN5 O3 S)

Compound Name

6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

IUPAC name

6-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidine-3-carboxamide

SMILES

NC(c1nsc2c1N=CN(CC(Nc(cc1)cc(Cl)c1F)=O)C2=O)=O

InChI

InChI=1S/C14H9ClFN5O3S/c15-7-3-6(1-2-8(7)16)19-9(22)4-21-5-18-10-11(13(17)23)20-25-12(10)14(21)24/h1-3,5H,4H2,(H2,17,23)(H,19,22)

InChI Key

YISBXARPGDRPML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

1.188

Water Solubility, LogSw

-2.79

Polar Surface Area

92.557

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P161-0026 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 P161-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P161-0026?
Check Price and Availability of P161-0026, 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 P161-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P161-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P161-0026
  • 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 P161-0026 available by request