M980-0216 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

M980-0216 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide
M980-0216 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M980-0216
1-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

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

M980-0216

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

1-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(2-methyl-13-benzoxazol-5-yl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1nc(cc(cc2)N(CC(C3)C(NCc4cc(C)ccc4)=O)C3=O)c2o1

InChI

InChI=1S/C21H21N3O3/c1-13-4-3-5-15(8-13)11-22-21(26)16-9-20(25)24(12-16)17-6-7-19-18(10-17)23-14(2)27-19/h3-8,10,16H,9,11-12H2,1-2H3,(H,22,26)/t16-/m1/s1

InChI Key

XVTPIPNNMYJUGE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27558521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-2.93

Polar Surface Area

57.711

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

M980-0216 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with M980-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M980-0216?
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What is the minimum amount of M980-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M980-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M980-0216
  • 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 M980-0216 available by request