J081-1113 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1113 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1113 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1113
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-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

J081-1113

Molecular Formula

C24H21ClN6O2 (C24 H21 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C(CC(N2)=O)c3c2n(-c2nncc(-c(cc4)ccc4Cl)n2)nc3C)c1

InChI

InChI=1S/C24H21ClN6O2/c1-3-33-18-6-4-5-16(11-18)19-12-21(32)28-23-22(19)14(2)30-31(23)24-27-20(13-26-29-24)15-7-9-17(25)10-8-15/h4-11,13,19H,3,12H2,1-2H3,(H,28,32)/t19-/m0/s1

InChI Key

OQZOLBASSAMVJN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15080100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.60

Polar Surface Area

77.498

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with J081-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1113?
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What is the minimum amount of J081-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1113
  • 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 J081-1113 available by request