L912-0067 Screening compound: N-[4-(5-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]acetamide

L912-0067 Screening compound: N-[4-(5-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]acetamide
L912-0067 Screening compound: N-[4-(5-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L912-0067
N-[4-(5-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]acetamide

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

L912-0067

Molecular Formula

C26H28N4O5 (C26 H28 N4 O5)

Compound Name

N-[4-(5-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]acetamide

IUPAC name

N-[4-(5-{1-[(2E)-3-(34-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl}-124-oxadiazol-3-yl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1-c1noc(C(CCC2)CN2C(/C=C/c(cc2)cc(OC)c2OC)=O)n1)=O

InChI

InChI=1S/C26H28N4O5/c1-17(31)27-21-10-8-19(9-11-21)25-28-26(35-29-25)20-5-4-14-30(16-20)24(32)13-7-18-6-12-22(33-2)23(15-18)34-3/h6-13,15,20H,4-5,14,16H2,1-3H3,(H,27,31)/t20-/m0/s1

InChI Key

FUYVCAIDHIJPJE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27486118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.17

Polar Surface Area

86.221

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

L912-0067 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L912-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L912-0067?
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What is the minimum amount of L912-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L912-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L912-0067
  • 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 L912-0067 available by request