Y040-6077 Screening compound: 2-chloro-N-[(3-chlorophenyl)methyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-6077 Screening compound: 2-chloro-N-[(3-chlorophenyl)methyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-6077 Screening compound: 2-chloro-N-[(3-chlorophenyl)methyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6077
2-chloro-N-[(3-chlorophenyl)methyl]-5-(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

Y040-6077

Molecular Formula

C15H11Cl2N5O (C15 H11 Cl2 N5 O)

Compound Name

2-chloro-N-[(3-chlorophenyl)methyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

2-chloro-N-[(3-chlorophenyl)methyl]-5-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc(cc1)-n2nnnc2)c1Cl)NCc1cc(Cl)ccc1

InChI

InChI=1S/C15H11Cl2N5O/c16-11-3-1-2-10(6-11)8-18-15(23)13-7-12(4-5-14(13)17)22-9-19-20-21-22/h1-7,9H,8H2,(H,18,23)

InChI Key

QZLAMHVHFFYVFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12213413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.94

Polar Surface Area

64.417

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y040-6077 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 Y040-6077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6077?
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What is the minimum amount of Y040-6077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6077
  • 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 Y040-6077 available by request