C066-5217 Screening compound: methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-1,2-oxazole-4-carboxylate

C066-5217 Screening compound: methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-1,2-oxazole-4-carboxylate
C066-5217 Screening compound: methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5217
methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-1,2-oxazole-4-carboxylate

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

C066-5217

Molecular Formula

C18H21ClN2O3 (C18 H21 ClN2 O3)

Compound Name

methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-1,2-oxazole-4-carboxylate

IUPAC name

methyl 3-(4-chlorophenyl)-5-(cycloheptylamino)-12-oxazole-4-carboxylate

SMILES

COC(c1c(NC2CCCCCC2)onc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H21ClN2O3/c1-23-18(22)15-16(12-8-10-13(19)11-9-12)21-24-17(15)20-14-6-4-2-3-5-7-14/h8-11,14,20H,2-7H2,1H3

InChI Key

SZAAXKOOHSZAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.869

Water Solubility, LogSw

-5.18

Polar Surface Area

54.290

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C066-5217 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5217?
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What is the minimum amount of C066-5217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5217
  • 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 C066-5217 available by request