C749-0216 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C749-0216 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
C749-0216 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C749-0216
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

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

C749-0216

Molecular Formula

C21H24ClN5O2 (C21 H24 ClN5 O2)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(4-methoxyphenyl)-124-oxadiazol-5-amine

SMILES

COc(cc1)ccc1-c1noc(NCCN(CC2)CCN2c2cccc(Cl)c2)n1

InChI

InChI=1S/C21H24ClN5O2/c1-28-19-7-5-16(6-8-19)20-24-21(29-25-20)23-9-10-26-11-13-27(14-12-26)18-4-2-3-17(22)15-18/h2-8,15H,9-14H2,1H3,(H,23,24,25)

InChI Key

YKTVFCQLHXMICV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.42

Polar Surface Area

58.091

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C749-0216 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C749-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C749-0216?
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What is the minimum amount of C749-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C749-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C749-0216
  • 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 C749-0216 available by request