L806-3832 Screening compound: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-3832 Screening compound: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-3832 Screening compound: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-3832
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)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

L806-3832

Molecular Formula

C23H20FN5O (C23 H20 FN5 O)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1-n1nnc(C(NCc(cc2)ccc2F)=O)c1-c1cnccc1

InChI

InChI=1S/C23H20FN5O/c1-15-5-10-20(12-16(15)2)29-22(18-4-3-11-25-14-18)21(27-28-29)23(30)26-13-17-6-8-19(24)9-7-17/h3-12,14H,13H2,1-2H3,(H,26,30)

InChI Key

FLYLSENYKVVKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

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

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.62

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

L806-3832 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L806-3832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-3832?
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What is the minimum amount of L806-3832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-3832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-3832
  • 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 L806-3832 available by request