Y040-6292 Screening compound: N~3~-(2-methoxyphenethyl)-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide

Y040-6292 Screening compound: N~3~-(2-methoxyphenethyl)-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide
Y040-6292 Screening compound: N~3~-(2-methoxyphenethyl)-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6292
N~3~-(2-methoxyphenethyl)-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

Y040-6292

Molecular Formula

C17H19N5O2S (C17 H19 N5 O2 S)

Compound Name

N~3~-(2-methoxyphenethyl)-4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-3-thiophenecarboxamide

IUPAC name

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

SMILES

Cc1c(C)sc(-n2nnnc2)c1C(NCCc(cccc1)c1OC)=O

InChI

InChI=1S/C17H19N5O2S/c1-11-12(2)25-17(22-10-19-20-21-22)15(11)16(23)18-9-8-13-6-4-5-7-14(13)24-3/h4-7,10H,8-9H2,1-3H3,(H,18,23)

InChI Key

PBKZRZVZHSLBNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13755990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.46

Polar Surface Area

72.958

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y040-6292 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 Y040-6292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6292?
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What is the minimum amount of Y040-6292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6292
  • 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 Y040-6292 available by request