J094-0032 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0032 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0032 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0032
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-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

J094-0032

Molecular Formula

C21H15F3N4OS (C21 H15 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c2cc(C(F)(F)F)ccc2)c2NC1=O)nn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C21H15F3N4OS/c1-11-18-14(12-5-4-6-13(9-12)21(22,23)24)10-17(29)26-19(18)28(27-11)20-25-15-7-2-3-8-16(15)30-20/h2-9,14H,10H2,1H3,(H,26,29)/t14-/m0/s1

InChI Key

IKZACKHTWNWEOB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15080700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.956

Water Solubility, LogSw

-4.69

Polar Surface Area

48.627

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with J094-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0032
  • 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 J094-0032 available by request