L806-0252 Screening compound: 1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-0252 Screening compound: 1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-0252 Screening compound: 1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-0252
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-(pyridin-3-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

L806-0252

Molecular Formula

C21H14ClF2N5O (C21 H14 ClF2 N5 O)

Compound Name

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

IUPAC name

1-(2-chlorophenyl)-N-[(24-difluorophenyl)methyl]-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(-c2cnccc2)n(-c(cccc2)c2Cl)nn1)NCc(ccc(F)c1)c1F

InChI

InChI=1S/C21H14ClF2N5O/c22-16-5-1-2-6-18(16)29-20(14-4-3-9-25-11-14)19(27-28-29)21(30)26-12-13-7-8-15(23)10-17(13)24/h1-11H,12H2,(H,26,30)

InChI Key

MOQNYSDMNUKQCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.87

Polar Surface Area

59.470

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L806-0252 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L806-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-0252?
Check Price and Availability of L806-0252, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L806-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-0252
  • 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 L806-0252 available by request