G781-0854 Screening compound: ethyl 2-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-amido}benzoate

G781-0854 Screening compound: ethyl 2-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-amido}benzoate
G781-0854 Screening compound: ethyl 2-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G781-0854
ethyl 2-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-amido}benzoate

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

G781-0854

Molecular Formula

C25H28N4O6 (C25 H28 N4 O6)

Compound Name

ethyl 2-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-amido}benzoate

IUPAC name

ethyl 2-{1-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]piperidine-4-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(C(CC1)CCN1c1nc(-c(cc2)cc(OC)c2OC)no1)=O)=O

InChI

InChI=1S/C25H28N4O6/c1-4-34-24(31)18-7-5-6-8-19(18)26-23(30)16-11-13-29(14-12-16)25-27-22(28-35-25)17-9-10-20(32-2)21(15-17)33-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,30)

InChI Key

BTVMZWGBDLDPRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.927

Water Solubility, LogSw

-4.06

Polar Surface Area

93.848

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with G781-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G781-0854?
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What is the minimum amount of G781-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G781-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G781-0854
  • 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 G781-0854 available by request