L806-0221 Screening compound: 1-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-0221 Screening compound: 1-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-0221 Screening compound: 1-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-0221
1-(2-chlorophenyl)-N-[(3-methoxyphenyl)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

L806-0221

Molecular Formula

C22H18ClN5O2 (C22 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(c2c(-c3cnccc3)n(-c(cccc3)c3Cl)nn2)=O)c1

InChI

InChI=1S/C22H18ClN5O2/c1-30-17-8-4-6-15(12-17)13-25-22(29)20-21(16-7-5-11-24-14-16)28(27-26-20)19-10-3-2-9-18(19)23/h2-12,14H,13H2,1H3,(H,25,29)

InChI Key

NKALMXZZRUODJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20738967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.65

Polar Surface Area

67.013

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L806-0221 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 L806-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-0221?
Check Price and Availability of L806-0221, 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 L806-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-0221
  • 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 L806-0221 available by request