L806-0289 Screening compound: 1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-0289 Screening compound: 1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-0289 Screening compound: 1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-0289
1-(4-methoxyphenyl)-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

L806-0289

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1nnc(C(NCc2cc(OC)ccc2)=O)c1-c1cnccc1

InChI

InChI=1S/C23H21N5O3/c1-30-19-10-8-18(9-11-19)28-22(17-6-4-12-24-15-17)21(26-27-28)23(29)25-14-16-5-3-7-20(13-16)31-2/h3-13,15H,14H2,1-2H3,(H,25,29)

InChI Key

PPBRFYNCGCTSCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.02

Polar Surface Area

74.858

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L806-0289 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L806-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-0289?
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What is the minimum amount of L806-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-0289
  • 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 L806-0289 available by request