Y043-4606 Screening compound: N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide

Y043-4606 Screening compound: N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide
Y043-4606 Screening compound: N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4606
N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(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

Y043-4606

Molecular Formula

C18H17N7O (C18 H17 N7 O)

Compound Name

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

IUPAC name

N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

Cn1c(cccc2)c2nc1CCNC(c(cccc1)c1-n1nnnc1)=O

InChI

InChI=1S/C18H17N7O/c1-24-16-9-5-3-7-14(16)21-17(24)10-11-19-18(26)13-6-2-4-8-15(13)25-12-20-22-23-25/h2-9,12H,10-11H2,1H3,(H,19,26)

InChI Key

DZDIXHAQDZVBJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28058366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.79

Polar Surface Area

75.944

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y043-4606 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 Y043-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4606?
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What is the minimum amount of Y043-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4606
  • 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 Y043-4606 available by request