J094-0097 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0097 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0097 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0097
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

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

J094-0097

Molecular Formula

C20H13BrClFN4OS (C20 H13 BrClFN4 OS)

Compound Name

1-(6-bromo-1,3-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(6-bromo-13-benzothiazol-2-yl)-4-(5-chloro-2-fluorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc(cc2)Cl)c2F)c2NC1=O)nn2-c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C20H13BrClFN4OS/c1-9-18-13(12-7-11(22)3-4-14(12)23)8-17(28)25-19(18)27(26-9)20-24-15-5-2-10(21)6-16(15)29-20/h2-7,13H,8H2,1H3,(H,25,28)/t13-/m0/s1

InChI Key

NHCQUBQMKJVZGS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27224739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.673

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.89

Polar Surface Area

48.627

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J094-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J094-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0097?
Check Price and Availability of J094-0097, 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 J094-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0097
  • 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 J094-0097 available by request