L741-3458 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide

L741-3458 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
L741-3458 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L741-3458
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluoro-3-methylphenyl)-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

L741-3458

Molecular Formula

C23H24FN5O (C23 H24 FN5 O)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluoro-3-methylphenyl)-5-(pyridin-4-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc(cc1)-n2nnc(C(NCCC3=CCCCC3)=O)c2-c2ccncc2)c1F

InChI

InChI=1S/C23H24FN5O/c1-16-15-19(7-8-20(16)24)29-22(18-10-12-25-13-11-18)21(27-28-29)23(30)26-14-9-17-5-3-2-4-6-17/h5,7-8,10-13,15H,2-4,6,9,14H2,1H3,(H,26,30)

InChI Key

CDXYBVNAKSVECO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.62

Polar Surface Area

59.715

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L741-3458 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L741-3458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L741-3458?
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What is the minimum amount of L741-3458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L741-3458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L741-3458
  • 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 L741-3458 available by request