L806-3827 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-3827 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-3827 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-3827
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-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

L806-3827

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-n1nnc(C(NCc(cc2)cc(OC)c2OC)=O)c1-c1cnccc1

InChI

InChI=1S/C25H25N5O3/c1-16-7-9-20(12-17(16)2)30-24(19-6-5-11-26-15-19)23(28-29-30)25(31)27-14-18-8-10-21(32-3)22(13-18)33-4/h5-13,15H,14H2,1-4H3,(H,27,31)

InChI Key

SJPUGXVOBYEDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.36

Polar Surface Area

75.031

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L806-3827 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 L806-3827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-3827?
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What is the minimum amount of L806-3827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-3827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-3827
  • 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 L806-3827 available by request