Y040-9510 Screening compound: N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexyl}acetamide

Y040-9510 Screening compound: N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexyl}acetamide
Y040-9510 Screening compound: N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9510
N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexyl}acetamide

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

Y040-9510

Molecular Formula

C17H22ClN5O (C17 H22 ClN5 O)

Compound Name

N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexyl}acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-{1-[(1H-1234-tetrazol-1-yl)methyl]cyclohexyl}acetamide

SMILES

O=C(CC1(Cn2nnnc2)CCCCC1)NCc1cccc(Cl)c1

InChI

InChI=1S/C17H22ClN5O/c18-15-6-4-5-14(9-15)11-19-16(24)10-17(7-2-1-3-8-17)12-23-13-20-21-22-23/h4-6,9,13H,1-3,7-8,10-12H2,(H,19,24)

InChI Key

ACERZQYUZJILPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18179143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.85

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

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.46

Polar Surface Area

64.544

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

Y040-9510 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 Y040-9510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9510?
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What is the minimum amount of Y040-9510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9510
  • 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 Y040-9510 available by request