L741-3520 Screening compound: 1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

L741-3520 Screening compound: 1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
L741-3520 Screening compound: 1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L741-3520
1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-N-[(pyridin-4-yl)methyl]-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

L741-3520

Molecular Formula

C21H17FN6O (C21 H17 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)-n2nnc(C(NCc3ccncc3)=O)c2-c2ccncc2)c1F

InChI

InChI=1S/C21H17FN6O/c1-14-12-17(2-3-18(14)22)28-20(16-6-10-24-11-7-16)19(26-27-28)21(29)25-13-15-4-8-23-9-5-15/h2-12H,13H2,1H3,(H,25,29)

InChI Key

AZAJBYXVZDHEBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.01

Polar Surface Area

69.109

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L741-3520 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L741-3520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L741-3520?
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What is the minimum amount of L741-3520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L741-3520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L741-3520
  • 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 L741-3520 available by request