J081-0075 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0075 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0075 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0075
1-(1,3-benzothiazol-2-yl)-4-(3,4,5-trimethoxyphenyl)-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

J081-0075

Molecular Formula

C22H20N4O4S (C22 H20 N4 O4 S)

Compound Name

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

IUPAC name

1-(13-benzothiazol-2-yl)-4-(345-trimethoxyphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

COc1cc(C(CC(N2)=O)c3c2n(-c2nc(cccc4)c4s2)nc3)cc(OC)c1OC

InChI

InChI=1S/C22H20N4O4S/c1-28-16-8-12(9-17(29-2)20(16)30-3)13-10-19(27)25-21-14(13)11-23-26(21)22-24-15-6-4-5-7-18(15)31-22/h4-9,11,13H,10H2,1-3H3,(H,25,27)/t13-/m0/s1

InChI Key

CATIPFJQRPKDOI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15080040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.97

Polar Surface Area

71.252

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with J081-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0075?
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What is the minimum amount of J081-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0075
  • 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 J081-0075 available by request