P016-4175 Screening compound: N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide

P016-4175 Screening compound: N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
P016-4175 Screening compound: N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P016-4175
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide

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

P016-4175

Molecular Formula

C22H18ClN5OS (C22 H18 ClN5 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CSc(cc1)ccc1-n1nnc(C(NCc(cccc2)c2Cl)=O)c1-c1ncccc1

InChI

InChI=1S/C22H18ClN5OS/c1-30-17-11-9-16(10-12-17)28-21(19-8-4-5-13-24-19)20(26-27-28)22(29)25-14-15-6-2-3-7-18(15)23/h2-13H,14H2,1H3,(H,25,29)

InChI Key

JRXJTCHSWUIPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.46

Polar Surface Area

59.300

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

P016-4175 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P016-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P016-4175?
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What is the minimum amount of P016-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P016-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P016-4175
  • 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 P016-4175 available by request