J081-0108 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[4-(2-methylpropoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0108 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[4-(2-methylpropoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0108 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[4-(2-methylpropoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0108
1-(1,3-benzothiazol-2-yl)-4-[4-(2-methylpropoxy)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

J081-0108

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc1ccc(C(CC(N2)=O)c3c2n(-c2nc(cccc4)c4s2)nc3)cc1

InChI

InChI=1S/C23H22N4O2S/c1-14(2)13-29-16-9-7-15(8-10-16)17-11-21(28)26-22-18(17)12-24-27(22)23-25-19-5-3-4-6-20(19)30-23/h3-10,12,14,17H,11,13H2,1-2H3,(H,26,28)/t17-/m0/s1

InChI Key

NLZUFVKNKXGFRE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15080046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

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

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.33

Polar Surface Area

55.773

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with J081-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0108?
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What is the minimum amount of J081-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0108
  • 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 J081-0108 available by request