J081-1170 Screening compound: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1170 Screening compound: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1170 Screening compound: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1170
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)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

J081-1170

Molecular Formula

C26H22N6O3 (C26 H22 N6 O3)

Compound Name

1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-[5-(3-methoxyphenyl)-124-triazin-3-yl]-3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cc(OCC#C)ccc2)c2NC1=O)nn2-c1nncc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C26H22N6O3/c1-4-11-35-20-10-5-7-17(12-20)21-14-23(33)29-25-24(21)16(2)31-32(25)26-28-22(15-27-30-26)18-8-6-9-19(13-18)34-3/h1,5-10,12-13,15,21H,11,14H2,2-3H3,(H,29,33)/t21-/m0/s1

InChI Key

XDFHXVOORLGVQI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27224270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.71

Polar Surface Area

85.336

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

J081-1170 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

?ysteine Targeted Covalent Library (39471 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 J081-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1170?
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What is the minimum amount of J081-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1170
  • 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 J081-1170 available by request