D361-1062 Screening compound: 4-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

D361-1062 Screening compound: 4-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid
D361-1062 Screening compound: 4-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1062
4-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

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

D361-1062

Molecular Formula

C23H17ClN6O3 (C23 H17 ClN6 O3)

Compound Name

4-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

IUPAC name

4-{1-[5-(4-chlorophenyl)-124-triazin-3-yl]-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}benzoic acid

SMILES

Cc(c(C(C1)c(cc2)ccc2C(O)=O)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C23H17ClN6O3/c1-12-20-17(13-2-4-15(5-3-13)22(32)33)10-19(31)27-21(20)30(29-12)23-26-18(11-25-28-23)14-6-8-16(24)9-7-14/h2-9,11,17H,10H2,1H3,(H,27,31)(H,32,33)/t17-/m0/s1

InChI Key

BIMFTRAXFIMICI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14824855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

0.815

Water Solubility, LogSw

-4.57

Polar Surface Area

98.783

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D361-1062 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D361-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1062?
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What is the minimum amount of D361-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1062
  • 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 D361-1062 available by request