P048-0936 Screening compound: N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-0936 Screening compound: N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-0936 Screening compound: N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-0936
N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

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

P048-0936

Molecular Formula

C20H17ClN4O3S (C20 H17 ClN4 O3 S)

Compound Name

N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

COc(cc1)ccc1N(Cc(cccc1)c1Cl)S(c(cc1)cn2c1nnc2)(=O)=O

InChI

InChI=1S/C20H17ClN4O3S/c1-28-17-8-6-16(7-9-17)25(12-15-4-2-3-5-19(15)21)29(26,27)18-10-11-20-23-22-14-24(20)13-18/h2-11,13-14H,12H2,1H3

InChI Key

UUZNEIHLRPZTDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.66

Polar Surface Area

62.282

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P048-0936 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P048-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-0936?
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What is the minimum amount of P048-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-0936
  • 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 P048-0936 available by request