M980-0004 Screening compound: N~3~-(4-acetylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide

M980-0004 Screening compound: N~3~-(4-acetylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide
M980-0004 Screening compound: N~3~-(4-acetylphenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M980-0004
N~3~-(4-acetylphenyl)-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

M980-0004

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1NC(C(CC1=O)CN1c(cc1)cc2c1oc(C)n2)=O)=O

InChI

InChI=1S/C21H19N3O4/c1-12(25)14-3-5-16(6-4-14)23-21(27)15-9-20(26)24(11-15)17-7-8-19-18(10-17)22-13(2)28-19/h3-8,10,15H,9,11H2,1-2H3,(H,23,27)/t15-/m1/s1

InChI Key

JBWAQBKGSWCVGI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27558441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.911

Distribution Coefficient, logD

1.906

Water Solubility, LogSw

-2.62

Polar Surface Area

70.216

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

M980-0004 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 M980-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M980-0004?
Check Price and Availability of M980-0004, 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 M980-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M980-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M980-0004
  • 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 M980-0004 available by request