J081-1249 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1249 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1249 Screening compound: 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1249
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]-3-methyl-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

J081-1249

Molecular Formula

C26H21FN6O3 (C26 H21 FN6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c(cc2)cc(OCC#C)c2OC)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C26H21FN6O3/c1-4-11-36-22-12-17(7-10-21(22)35-3)19-13-23(34)30-25-24(19)15(2)32-33(25)26-29-20(14-28-31-26)16-5-8-18(27)9-6-16/h1,5-10,12,14,19H,11,13H2,2-3H3,(H,30,34)/t19-/m0/s1

InChI Key

HQMMKAHUUCPAAW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27224283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.49

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

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.16

Polar Surface Area

85.510

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

J081-1249 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 J081-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J081-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1249
  • 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 J081-1249 available by request