J081-1171 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1171 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1171 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1171
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[3-(prop-2-en-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

J081-1171

Molecular Formula

C25H21FN6O2 (C25 H21 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c2cc(OCC=C)ccc2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C25H21FN6O2/c1-3-11-34-19-6-4-5-17(12-19)20-13-22(33)29-24-23(20)15(2)31-32(24)25-28-21(14-27-30-25)16-7-9-18(26)10-8-16/h3-10,12,14,20H,1,11,13H2,2H3,(H,29,33)/t20-/m0/s1

InChI Key

MTTWHZIXTOCUCZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27224271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.05

Polar Surface Area

77.793

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

J081-1171 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 J081-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J081-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1171
  • 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 J081-1171 available by request