D361-1016 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1016 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1016 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1016
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxyphenyl)-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

D361-1016

Molecular Formula

C22H17ClN6O2 (C22 H17 ClN6 O2)

Compound Name

1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)ccc2O)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C22H17ClN6O2/c1-12-20-17(13-4-8-16(30)9-5-13)10-19(31)26-21(20)29(28-12)22-25-18(11-24-27-22)14-2-6-15(23)7-3-14/h2-9,11,17,30H,10H2,1H3,(H,26,31)/t17-/m0/s1

InChI Key

FIWYYMQNVAZGJF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14824840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.86

Polar Surface Area

87.992

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D361-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1016
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for D361-1016
  • 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 D361-1016 available by request