M955-0847 Screening compound: methyl 3-{2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate

M955-0847 Screening compound: methyl 3-{2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate
M955-0847 Screening compound: methyl 3-{2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M955-0847
methyl 3-{2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate

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

M955-0847

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

methyl 3-{2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate

IUPAC name

methyl 3-{2-[3-(5-cyclobutyl-134-oxadiazol-2-yl)-25-dimethyl-1H-pyrrol-1-yl]acetamido}benzoate

SMILES

Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(Nc1cccc(C(OC)=O)c1)=O

InChI

InChI=1S/C22H24N4O4/c1-13-10-18(21-25-24-20(30-21)15-6-4-7-15)14(2)26(13)12-19(27)23-17-9-5-8-16(11-17)22(28)29-3/h5,8-11,15H,4,6-7,12H2,1-3H3,(H,23,27)

InChI Key

OARUSXKFXPGYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.55

Polar Surface Area

77.250

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M955-0847 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M955-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M955-0847?
Check Price and Availability of M955-0847, 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 M955-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M955-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M955-0847
  • 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 M955-0847 available by request