J081-0021 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0021 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0021 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0021
1-(1,3-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]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

J081-0021

Molecular Formula

C26H19ClN4O2S (C26 H19 ClN4 O2 S)

Compound Name

1-(1,3-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(13-benzothiazol-2-yl)-4-{2-[(4-chlorophenyl)methoxy]phenyl}-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1c(cccc2)c2OCc(cc2)ccc2Cl)Nc2c1cnn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C26H19ClN4O2S/c27-17-11-9-16(10-12-17)15-33-22-7-3-1-5-18(22)19-13-24(32)30-25-20(19)14-28-31(25)26-29-21-6-2-4-8-23(21)34-26/h1-12,14,19H,13,15H2,(H,30,32)/t19-/m1/s1

InChI Key

HTSROBXJLRJKHT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15080030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.474

Distribution Coefficient, logD

6.474

Water Solubility, LogSw

-6.38

Polar Surface Area

55.588

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with J081-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0021?
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What is the minimum amount of J081-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0021
  • 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 J081-0021 available by request