J081-2216 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-2216 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-2216 Screening compound: 4-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-2216
4-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-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

J081-2216

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(ccc(C(CC(N1)=O)c2c1n(-c1nc(ccc(C)c3)c3s1)nc2C)c1)c1OC

InChI

InChI=1S/C26H28N4O3S/c1-14(2)13-33-20-9-7-17(11-21(20)32-5)18-12-23(31)28-25-24(18)16(4)29-30(25)26-27-19-8-6-15(3)10-22(19)34-26/h6-11,14,18H,12-13H2,1-5H3,(H,28,31)/t18-/m0/s1

InChI Key

BKDWIHXZPKDYGA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27224321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.46

Polar Surface Area

63.843

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

J081-2216 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-2216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-2216?
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What is the minimum amount of J081-2216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-2216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-2216
  • 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 J081-2216 available by request