J081-0155 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0155 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0155 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0155
1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)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

J081-0155

Molecular Formula

C28H24N4O2S (C28 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cccc2)c2OCc2ccc(C)cc2)c2NC1=O)nn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C28H24N4O2S/c1-17-11-13-19(14-12-17)16-34-23-9-5-3-7-20(23)21-15-25(33)30-27-26(21)18(2)31-32(27)28-29-22-8-4-6-10-24(22)35-28/h3-14,21H,15-16H2,1-2H3,(H,30,33)/t21-/m0/s1

InChI Key

DEWZVJKJIKNPNK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15080048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

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

6.218

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-5.59

Polar Surface Area

55.941

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with J081-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0155?
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What is the minimum amount of J081-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0155
  • 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 J081-0155 available by request