C066-4997 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

C066-4997 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine
C066-4997 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4997
1-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

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

C066-4997

Molecular Formula

C26H30FN5O4 (C26 H30 FN5 O4)

Compound Name

1-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

IUPAC name

1-{1-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

SMILES

COc(ccc(-c1noc(N(CC2)CCC2C(N(CC2)CCN2c(cccc2)c2F)=O)n1)c1)c1OC

InChI

InChI=1S/C26H30FN5O4/c1-34-22-8-7-19(17-23(22)35-2)24-28-26(36-29-24)32-11-9-18(10-12-32)25(33)31-15-13-30(14-16-31)21-6-4-3-5-20(21)27/h3-8,17-18H,9-16H2,1-2H3

InChI Key

CSAUTVCWJKMVOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.07

Polar Surface Area

70.308

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C066-4997 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4997?
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What is the minimum amount of C066-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4997
  • 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 C066-4997 available by request