Y043-5187 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide

Y043-5187 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide
Y043-5187 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5187
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-4-(1H-1,2,3,4-tetraazol-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

Y043-5187

Molecular Formula

C20H21N7O (C20 H21 N7 O)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-methylbutyl]-4-(1H-1234-tetrazol-1-yl)benzamide

SMILES

CC(C)CC(c1nc(cccc2)c2[nH]1)NC(c(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C20H21N7O/c1-13(2)11-18(19-22-16-5-3-4-6-17(16)23-19)24-20(28)14-7-9-15(10-8-14)27-12-21-25-26-27/h3-10,12-13,18H,11H2,1-2H3,(H,22,23)(H,24,28)/t18-/m0/s1

InChI Key

OHNGUFNKIXHCFX-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.52

Polar Surface Area

83.339

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y043-5187 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 Y043-5187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5187?
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What is the minimum amount of Y043-5187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5187
  • 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 Y043-5187 available by request