C599-0702 Screening compound: ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate

C599-0702 Screening compound: ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate
C599-0702 Screening compound: ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0702
ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-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

C599-0702

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(-c3cc(C)ccc3)no2)CC1)=O

InChI

InChI=1S/C17H22N4O3/c1-3-23-17(22)21-9-7-20(8-10-21)12-15-18-16(19-24-15)14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3

InChI Key

FJWDHQWFOCLKHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-2.92

Polar Surface Area

58.094

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C599-0702 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C599-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0702?
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What is the minimum amount of C599-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0702
  • 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 C599-0702 available by request