Y041-5812 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y041-5812 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y041-5812 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5812
N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-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

Y041-5812

Molecular Formula

C18H14BrFN6O (C18 H14 BrFN6 O)

Compound Name

N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-[2-(6-bromo-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc(cc1)F)c1-n1nnnc1)NCCn(cc1)c2c1ccc(Br)c2

InChI

InChI=1S/C18H14BrFN6O/c19-13-2-1-12-5-7-25(17(12)9-13)8-6-21-18(27)15-10-14(20)3-4-16(15)26-11-22-23-24-26/h1-5,7,9-11H,6,8H2,(H,21,27)

InChI Key

IGYVIYKVMCIDEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22586043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.94

Polar Surface Area

66.047

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y041-5812 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 Y041-5812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5812?
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What is the minimum amount of Y041-5812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5812
  • 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 Y041-5812 available by request