J094-0404 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(3-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0404 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(3-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0404 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(3-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0404
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(3-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

J094-0404

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc2c1nc(-n1nc(C)c(C(C3)c4cc(F)ccc4)c1NC3=O)s2

InChI

InChI=1S/C22H19FN4O2S/c1-3-29-15-7-8-17-18(10-15)30-22(24-17)27-21-20(12(2)26-27)16(11-19(28)25-21)13-5-4-6-14(23)9-13/h4-10,16H,3,11H2,1-2H3,(H,25,28)/t16-/m0/s1

InChI Key

KKSAGTKBAZBDTA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27224801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.587

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.40

Polar Surface Area

55.750

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J094-0404 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 J094-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0404?
Check Price and Availability of J094-0404, 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 J094-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0404
  • 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 J094-0404 available by request