L806-6658 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-6658 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-6658 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-6658
N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-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

L806-6658

Molecular Formula

C23H19F2N5O (C23 H19 F2 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(-n2nnc(C(NCc(ccc(F)c3)c3F)=O)c2-c2cnccc2)c1

InChI

InChI=1S/C23H19F2N5O/c1-2-15-5-3-7-19(11-15)30-22(17-6-4-10-26-13-17)21(28-29-30)23(31)27-14-16-8-9-18(24)12-20(16)25/h3-13H,2,14H2,1H3,(H,27,31)

InChI Key

OEBLMNBENUGCRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-3.76

Polar Surface Area

59.771

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L806-6658 in Drug Discovery

Included in Screening Libraries

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 L806-6658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-6658?
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What is the minimum amount of L806-6658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-6658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-6658
  • 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 L806-6658 available by request