8018-6657 Screening compound: (4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl)methyl N-cyclohexylcarbamate

8018-6657 Screening compound: (4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl)methyl N-cyclohexylcarbamate
8018-6657 Screening compound: (4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl)methyl N-cyclohexylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6657
(4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl)methyl N-cyclohexylcarbamate

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

8018-6657

Molecular Formula

C25H33Cl2N3O5 (C25 H33 Cl2 N3 O5)

Compound Name

(4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl)methyl N-cyclohexylcarbamate

IUPAC name

(4-{[(cyclohexylcarbamoyl)oxy]methyl}-2-(24-dichlorophenyl)-45-dihydro-13-oxazol-4-yl)methyl N-cyclohexylcarbamate

SMILES

O=C(NC1CCCCC1)OCC1(COC(NC2CCCCC2)=O)N=C(c(ccc(Cl)c2)c2Cl)OC1

InChI

InChI=1S/C25H33Cl2N3O5/c26-17-11-12-20(21(27)13-17)22-30-25(14-33-22,15-34-23(31)28-18-7-3-1-4-8-18)16-35-24(32)29-19-9-5-2-6-10-19/h11-13,18-19H,1-10,14-16H2,(H,28,31)(H,29,32)

InChI Key

WXPJUCKEMCJAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.788

Distribution Coefficient, logD

6.788

Water Solubility, LogSw

-6.62

Polar Surface Area

84.519

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

8018-6657 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-6657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6657?
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What is the minimum amount of 8018-6657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6657
  • 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 8018-6657 available by request