Y040-9308 Screening compound: N-[(3-chlorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

Y040-9308 Screening compound: N-[(3-chlorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide
Y040-9308 Screening compound: N-[(3-chlorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9308
N-[(3-chlorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-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

Y040-9308

Molecular Formula

C16H20ClN5O (C16 H20 ClN5 O)

Compound Name

N-[(3-chlorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

(1r4r)-N-[(3-chlorophenyl)methyl]-4-[(1H-1234-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C([C@H]1CC[C@H](Cn2nnnc2)CC1)NCc1cccc(Cl)c1

InChI

InChI=1S/C16H20ClN5O/c17-15-3-1-2-13(8-15)9-18-16(23)14-6-4-12(5-7-14)10-22-11-19-20-21-22/h1-3,8,11-12,14H,4-7,9-10H2,(H,18,23)

InChI Key

SZHYWCUJKPZRGP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.52

Polar Surface Area

64.757

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y040-9308 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 Y040-9308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9308?
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What is the minimum amount of Y040-9308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9308
  • 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 Y040-9308 available by request