J094-0058 Screening compound: 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

J094-0058 Screening compound: 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
J094-0058 Screening compound: 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0058
4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

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

J094-0058

Molecular Formula

C22H17N5O2S (C22 H17 N5 O2 S)

Compound Name

4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile

IUPAC name

4-[1-(6-methoxy-13-benzothiazol-2-yl)-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl]benzonitrile

SMILES

Cc(c(C(C1)c(cc2)ccc2C#N)c2NC1=O)nn2-c1nc(ccc(OC)c2)c2s1

InChI

InChI=1S/C22H17N5O2S/c1-12-20-16(14-5-3-13(11-23)4-6-14)10-19(28)25-21(20)27(26-12)22-24-17-8-7-15(29-2)9-18(17)30-22/h3-9,16H,10H2,1-2H3,(H,25,28)/t16-/m0/s1

InChI Key

FQMQHEKQRGIQHV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15080705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.18

Polar Surface Area

73.227

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with J094-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0058?
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What is the minimum amount of J094-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0058
  • 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 J094-0058 available by request