L912-0045 Screening compound: N-(2-{3-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide

L912-0045 Screening compound: N-(2-{3-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide
L912-0045 Screening compound: N-(2-{3-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L912-0045
N-(2-{3-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide

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

L912-0045

Molecular Formula

C25H27N5O4 (C25 H27 N5 O4)

Compound Name

N-(2-{3-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide

IUPAC name

N-(2-{3-[3-(4-acetamidophenyl)-124-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-4-methylbenzamide

SMILES

CC(Nc(cc1)ccc1-c1noc(C(CCC2)CN2C(CNC(c2ccc(C)cc2)=O)=O)n1)=O

InChI

InChI=1S/C25H27N5O4/c1-16-5-7-19(8-6-16)24(33)26-14-22(32)30-13-3-4-20(15-30)25-28-23(29-34-25)18-9-11-21(12-10-18)27-17(2)31/h5-12,20H,3-4,13-15H2,1-2H3,(H,26,33)(H,27,31)/t20-/m0/s1

InChI Key

RRRXBLGFPJQTHP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27486109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.41

Polar Surface Area

95.645

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L912-0045 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 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 L912-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L912-0045?
Check Price and Availability of L912-0045, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L912-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L912-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L912-0045
  • 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 L912-0045 available by request