D361-0986 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0986 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0986 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0986
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-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

D361-0986

Molecular Formula

C23H19ClN6O (C23 H19 ClN6 O)

Compound Name

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

IUPAC name

1-[5-(4-chlorophenyl)-124-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2c(C)cccc2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C23H19ClN6O/c1-13-5-3-4-6-17(13)18-11-20(31)27-22-21(18)14(2)29-30(22)23-26-19(12-25-28-23)15-7-9-16(24)10-8-15/h3-10,12,18H,11H2,1-2H3,(H,27,31)/t18-/m0/s1

InChI Key

MRYKFTZSNWTETB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14824825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.59

Polar Surface Area

70.375

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

D361-0986 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D361-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0986?
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What is the minimum amount of D361-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0986
  • 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 D361-0986 available by request