Y040-9493 Screening compound: (4-benzhydrylpiperazino)[1-(1H-1,2,3,4-tetraazol-1-yl)cyclohexyl]methanone

Y040-9493 Screening compound: (4-benzhydrylpiperazino)[1-(1H-1,2,3,4-tetraazol-1-yl)cyclohexyl]methanone
Y040-9493 Screening compound: (4-benzhydrylpiperazino)[1-(1H-1,2,3,4-tetraazol-1-yl)cyclohexyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9493
(4-benzhydrylpiperazino)[1-(1H-1,2,3,4-tetraazol-1-yl)cyclohexyl]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

Y040-9493

Molecular Formula

C25H30N6O (C25 H30 N6 O)

Compound Name

(4-benzhydrylpiperazino)[1-(1H-1,2,3,4-tetraazol-1-yl)cyclohexyl]methanone

IUPAC name

1-(diphenylmethyl)-4-[1-(1H-1234-tetrazol-1-yl)cyclohexanecarbonyl]piperazine

SMILES

O=C(C1(CCCCC1)n1nnnc1)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H30N6O/c32-24(25(14-8-3-9-15-25)31-20-26-27-28-31)30-18-16-29(17-19-30)23(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,20,23H,3,8-9,14-19H2

InChI Key

AFDQERHDBKASNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18179302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.18

Polar Surface Area

59.030

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

Y040-9493 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9493?
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What is the minimum amount of Y040-9493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9493
  • 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 Y040-9493 available by request