J081-1199 Screening compound: 4-(3,4-dimethylphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1199 Screening compound: 4-(3,4-dimethylphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1199 Screening compound: 4-(3,4-dimethylphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1199
4-(3,4-dimethylphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-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

J081-1199

Molecular Formula

C25H24N6O2 (C25 H24 N6 O2)

Compound Name

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

IUPAC name

4-(34-dimethylphenyl)-1-[5-(4-methoxyphenyl)-124-triazin-3-yl]-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cc(C)c(C)cc2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C25H24N6O2/c1-14-5-6-18(11-15(14)2)20-12-22(32)28-24-23(20)16(3)30-31(24)25-27-21(13-26-29-25)17-7-9-19(33-4)10-8-17/h5-11,13,20H,12H2,1-4H3,(H,28,32)/t20-/m0/s1

InChI Key

JMCCLPICRGDXNV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27224276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.18

Polar Surface Area

77.919

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

J081-1199 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J081-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1199?
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What is the minimum amount of J081-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1199
  • 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 J081-1199 available by request