Y043-4604 Screening compound: 5-fluoro-N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide

Y043-4604 Screening compound: 5-fluoro-N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide
Y043-4604 Screening compound: 5-fluoro-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 Y043-4604
5-fluoro-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

Y043-4604

Molecular Formula

C18H16FN7O (C18 H16 FN7 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2nc1CCNC(c(cc(cc1)F)c1-n1nnnc1)=O

InChI

InChI=1S/C18H16FN7O/c1-25-16-5-3-2-4-14(16)22-17(25)8-9-20-18(27)13-10-12(19)6-7-15(13)26-11-21-23-24-26/h2-7,10-11H,8-9H2,1H3,(H,20,27)

InChI Key

FCOFYRYJZOZXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28059374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.37

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

2.118

Distribution Coefficient, logD

2.115

Water Solubility, LogSw

-3.15

Polar Surface Area

75.944

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y043-4604 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 Y043-4604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4604?
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What is the minimum amount of Y043-4604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4604
  • 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 Y043-4604 available by request