M980-0113 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidinone

M980-0113 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidinone
M980-0113 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound M980-0113
4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidinone

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

M980-0113

Molecular Formula

C23H23FN4O3 (C23 H23 FN4 O3)

Compound Name

4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidinone

IUPAC name

n/a

SMILES

Cc1nc(cc(cc2)N(CC(C3)C(N(CC4)CCN4c(cccc4)c4F)=O)C3=O)c2o1

InChI

InChI=1S/C23H23FN4O3/c1-15-25-19-13-17(6-7-21(19)31-15)28-14-16(12-22(28)29)23(30)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,13,16H,8-12,14H2,1H3/t16-/m0/s1

InChI Key

PXOBBCPJBIGKQJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27558489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.18

Polar Surface Area

52.906

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

M980-0113 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M980-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M980-0113?
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What is the minimum amount of M980-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M980-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M980-0113
  • 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 M980-0113 available by request