V020-5946 Screening compound: 5-(4-cyclohexylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]-3-isoxazolecarboxamide

V020-5946 Screening compound: 5-(4-cyclohexylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]-3-isoxazolecarboxamide
V020-5946 Screening compound: 5-(4-cyclohexylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5946
5-(4-cyclohexylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]-3-isoxazolecarboxamide

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

V020-5946

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

5-(4-cyclohexylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]-3-isoxazolecarboxamide

IUPAC name

5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-12-oxazole-3-carboxamide

SMILES

CC(COC)NC(c1noc(-c2ccc(C3CCCCC3)cc2)c1)=O

InChI

InChI=1S/C20H26N2O3/c1-14(13-24-2)21-20(23)18-12-19(25-22-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,23)/t14-/m0/s1

InChI Key

OWAKKNIZYNNRLJ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-4.30

Polar Surface Area

54.244

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V020-5946 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V020-5946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5946?
Check Price and Availability of V020-5946, 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 V020-5946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5946
  • 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 V020-5946 available by request