P772-0008 Screening compound: 5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

P772-0008 Screening compound: 5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
P772-0008 Screening compound: 5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0008
5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

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

P772-0008

Molecular Formula

C20H16ClFN2OS (C20 H16 ClFN2 OS)

Compound Name

5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

IUPAC name

5-benzoyl-2-[(2-chloro-4-fluorophenyl)methyl]-4H5H6H7H-[13]thiazolo[54-c]pyridine

SMILES

O=C(c1ccccc1)N(CC1)Cc2c1nc(Cc(ccc(F)c1)c1Cl)s2

InChI

InChI=1S/C20H16ClFN2OS/c21-16-11-15(22)7-6-14(16)10-19-23-17-8-9-24(12-18(17)26-19)20(25)13-4-2-1-3-5-13/h1-7,11H,8-10,12H2

InChI Key

CNRJCQYYBNSMED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-5.00

Polar Surface Area

28.279

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P772-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P772-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0008?
Check Price and Availability of P772-0008, 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 P772-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0008
  • 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 P772-0008 available by request