Y040-6407 Screening compound: [4-(4-chlorophenyl)-4-hydroxypiperidino][2-(1H-1,2,3,4-tetraazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanone

Y040-6407 Screening compound: [4-(4-chlorophenyl)-4-hydroxypiperidino][2-(1H-1,2,3,4-tetraazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanone
Y040-6407 Screening compound: [4-(4-chlorophenyl)-4-hydroxypiperidino][2-(1H-1,2,3,4-tetraazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6407
[4-(4-chlorophenyl)-4-hydroxypiperidino][2-(1H-1,2,3,4-tetraazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanone

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

Y040-6407

Molecular Formula

C20H20ClN5O2S (C20 H20 ClN5 O2 S)

Compound Name

[4-(4-chlorophenyl)-4-hydroxypiperidino][2-(1H-1,2,3,4-tetraazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanone

IUPAC name

4-(4-chlorophenyl)-1-[2-(1H-1234-tetrazol-1-yl)-4H5H6H-cyclopenta[b]thiophene-3-carbonyl]piperidin-4-ol

SMILES

OC(CC1)(CCN1C(c1c(-n2nnnc2)sc2c1CCC2)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C20H20ClN5O2S/c21-14-6-4-13(5-7-14)20(28)8-10-25(11-9-20)18(27)17-15-2-1-3-16(15)29-19(17)26-12-22-23-24-26/h4-7,12,28H,1-3,8-11H2

InChI Key

VQEVXRLHLLNULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16625623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-3.78

Polar Surface Area

72.842

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y040-6407 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 Y040-6407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6407?
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What is the minimum amount of Y040-6407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6407
  • 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 Y040-6407 available by request