M082-0888 Screening compound: 4-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one

M082-0888 Screening compound: 4-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
M082-0888 Screening compound: 4-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M082-0888
4-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one

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

M082-0888

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

4-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one

IUPAC name

4-(4-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-1-(34-dimethylphenyl)pyrrolidin-2-one

SMILES

Cc(cc1)c(C)cc1N(CC(C1)C(N2CCC(Cc3nc(-c(cc4)ccc4Cl)no3)CC2)=O)C1=O

InChI

InChI=1S/C27H29ClN4O3/c1-17-3-8-23(13-18(17)2)32-16-21(15-25(32)33)27(34)31-11-9-19(10-12-31)14-24-29-26(30-35-24)20-4-6-22(28)7-5-20/h3-8,13,19,21H,9-12,14-16H2,1-2H3/t21-/m0/s1

InChI Key

PIVGKIGEOOLZLO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27496467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.826

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-6.10

Polar Surface Area

64.708

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

M082-0888 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M082-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M082-0888?
Check Price and Availability of M082-0888, 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 M082-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M082-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M082-0888
  • 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 M082-0888 available by request