J081-1223 Screening compound: 4-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1223 Screening compound: 4-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1223 Screening compound: 4-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-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 J081-1223
4-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-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

J081-1223

Molecular Formula

C27H26N6O4 (C27 H26 N6 O4)

Compound Name

4-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-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-[4-methoxy-3-(prop-2-en-1-yloxy)phenyl]-1-[5-(4-methoxyphenyl)-124-triazin-3-yl]-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)ccc2OC)n1

InChI

InChI=1S/C27H26N6O4/c1-5-12-37-23-13-18(8-11-22(23)36-4)20-14-24(34)30-26-25(20)16(2)32-33(26)27-29-21(15-28-31-27)17-6-9-19(35-3)10-7-17/h5-11,13,15,20H,1,12,14H2,2-4H3,(H,30,34)/t20-/m0/s1

InChI Key

KWIKXWGTSRMAAN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27224281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.74

Polar Surface Area

93.053

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

J081-1223 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J081-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J081-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1223
  • 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 J081-1223 available by request