Y043-0331 Screening compound: N-(3-methoxyphenyl)-1-(1H-1,2,3,4-tetraazol-1-yl)-1-cyclohexanecarboxamide

Y043-0331 Screening compound: N-(3-methoxyphenyl)-1-(1H-1,2,3,4-tetraazol-1-yl)-1-cyclohexanecarboxamide
Y043-0331 Screening compound: N-(3-methoxyphenyl)-1-(1H-1,2,3,4-tetraazol-1-yl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0331
N-(3-methoxyphenyl)-1-(1H-1,2,3,4-tetraazol-1-yl)-1-cyclohexanecarboxamide

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

Y043-0331

Molecular Formula

C15H19N5O2 (C15 H19 N5 O2)

Compound Name

N-(3-methoxyphenyl)-1-(1H-1,2,3,4-tetraazol-1-yl)-1-cyclohexanecarboxamide

IUPAC name

N-(3-methoxyphenyl)-1-(1H-1234-tetrazol-1-yl)cyclohexane-1-carboxamide

SMILES

COc1cccc(NC(C2(CCCCC2)n2nnnc2)=O)c1

InChI

InChI=1S/C15H19N5O2/c1-22-13-7-5-6-12(10-13)17-14(21)15(8-3-2-4-9-15)20-11-16-18-19-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,21)

InChI Key

HFTTWADVPGAKNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.29

Polar Surface Area

70.455

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

Y043-0331 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 Y043-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0331?
Check Price and Availability of Y043-0331, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0331
  • 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 Y043-0331 available by request