M980-0028 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide

M980-0028 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide
M980-0028 Screening compound: N~3~-(4-chloro-2-methylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M980-0028
N~3~-(4-chloro-2-methylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-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

M980-0028

Molecular Formula

C20H18ClN3O3 (C20 H18 ClN3 O3)

Compound Name

N~3~-(4-chloro-2-methylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

Cc1nc(cc(cc2)N(CC(C3)C(Nc(cc4)c(C)cc4Cl)=O)C3=O)c2o1

InChI

InChI=1S/C20H18ClN3O3/c1-11-7-14(21)3-5-16(11)23-20(26)13-8-19(25)24(10-13)15-4-6-18-17(9-15)22-12(2)27-18/h3-7,9,13H,8,10H2,1-2H3,(H,23,26)/t13-/m0/s1

InChI Key

KFHVMLBFSQSBOT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27558447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.69

Polar Surface Area

55.691

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

M980-0028 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M980-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M980-0028?
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What is the minimum amount of M980-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M980-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M980-0028
  • 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 M980-0028 available by request