Y040-5978 Screening compound: N-pentyl-2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y040-5978 Screening compound: N-pentyl-2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y040-5978 Screening compound: N-pentyl-2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5978
N-pentyl-2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

Y040-5978

Molecular Formula

C15H21N5OS (C15 H21 N5 OS)

Compound Name

N-pentyl-2-(1H-1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-pentyl-2-(1H-1234-tetrazol-1-yl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCCCCNC(c1c(-n2nnnc2)sc2c1CCCC2)=O

InChI

InChI=1S/C15H21N5OS/c1-2-3-6-9-16-14(21)13-11-7-4-5-8-12(11)22-15(13)20-10-17-18-19-20/h10H,2-9H2,1H3,(H,16,21)

InChI Key

DQUQKRAWOAKMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12215043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.62

Polar Surface Area

65.520

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y040-5978 in Drug Discovery

Included in Screening Libraries

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 Y040-5978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5978?
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What is the minimum amount of Y040-5978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5978
  • 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 Y040-5978 available by request