Y043-8463 Screening compound: N-[2-(5-bromo-1H-indol-1-yl)ethyl]-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide

Y043-8463 Screening compound: N-[2-(5-bromo-1H-indol-1-yl)ethyl]-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide
Y043-8463 Screening compound: N-[2-(5-bromo-1H-indol-1-yl)ethyl]-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8463
N-[2-(5-bromo-1H-indol-1-yl)ethyl]-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide

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

Y043-8463

Molecular Formula

C18H17BrN6OS (C18 H17 BrN6 OS)

Compound Name

N-[2-(5-bromo-1H-indol-1-yl)ethyl]-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide

IUPAC name

N-[2-(5-bromo-1H-indol-1-yl)ethyl]-45-dimethyl-2-(1H-1234-tetrazol-1-yl)thiophene-3-carboxamide

SMILES

Cc1c(C)sc(-n2nnnc2)c1C(NCCn(cc1)c(cc2)c1cc2Br)=O

InChI

InChI=1S/C18H17BrN6OS/c1-11-12(2)27-18(25-10-21-22-23-25)16(11)17(26)20-6-8-24-7-5-13-9-14(19)3-4-15(13)24/h3-5,7,9-10H,6,8H2,1-2H3,(H,20,26)

InChI Key

IANBKGSQXHWANL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32008914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.34

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

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.13

Polar Surface Area

67.417

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y043-8463 in Drug Discovery

Included in Screening Libraries

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

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 Y043-8463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8463?
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What is the minimum amount of Y043-8463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8463
  • 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 Y043-8463 available by request