Y040-5324 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-5324 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-5324 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5324
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

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

Y040-5324

Molecular Formula

C18H14ClFN6O (C18 H14 ClFN6 O)

Compound Name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluoro-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(ccc(F)c1)c1-n1nnnc1)NCCc1c[nH]c(cc2)c1cc2Cl

InChI

InChI=1S/C18H14ClFN6O/c19-12-1-4-16-15(7-12)11(9-22-16)5-6-21-18(27)14-3-2-13(20)8-17(14)26-10-23-24-25-26/h1-4,7-10,22H,5-6H2,(H,21,27)

InChI Key

BJWHBKROMLKQLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-4.05

Polar Surface Area

73.828

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y040-5324 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-5324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5324?
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What is the minimum amount of Y040-5324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5324
  • 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 Y040-5324 available by request