L741-3476 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide

L741-3476 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
L741-3476 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L741-3476
1-(4-fluoro-3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyridin-4-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

L741-3476

Molecular Formula

C23H20FN5OS (C23 H20 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)-n2nnc(C(NCc(cc3)ccc3SC)=O)c2-c2ccncc2)c1F

InChI

InChI=1S/C23H20FN5OS/c1-15-13-18(5-8-20(15)24)29-22(17-9-11-25-12-10-17)21(27-28-29)23(30)26-14-16-3-6-19(31-2)7-4-16/h3-13H,14H2,1-2H3,(H,26,30)

InChI Key

NRWPUIHGNFTTMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.01

Polar Surface Area

59.681

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L741-3476 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L741-3476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L741-3476?
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What is the minimum amount of L741-3476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L741-3476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L741-3476
  • 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 L741-3476 available by request