M955-1491 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-{2,5-dimethyl-3-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide

M955-1491 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-{2,5-dimethyl-3-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide
M955-1491 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-{2,5-dimethyl-3-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M955-1491
N-[(3,5-difluorophenyl)methyl]-2-{2,5-dimethyl-3-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide

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

M955-1491

Molecular Formula

C21H18F2N4O2S (C21 H18 F2 N4 O2 S)

Compound Name

N-[(3,5-difluorophenyl)methyl]-2-{2,5-dimethyl-3-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide

IUPAC name

N-[(35-difluorophenyl)methyl]-2-{25-dimethyl-3-[5-(thiophen-2-yl)-134-oxadiazol-2-yl]-1H-pyrrol-1-yl}acetamide

SMILES

Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(NCc1cc(F)cc(F)c1)=O

InChI

InChI=1S/C21H18F2N4O2S/c1-12-6-17(20-25-26-21(29-20)18-4-3-5-30-18)13(2)27(12)11-19(28)24-10-14-7-15(22)9-16(23)8-14/h3-9H,10-11H2,1-2H3,(H,24,28)

InChI Key

DYQJREKCJQSWJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.91

Polar Surface Area

57.894

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M955-1491 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M955-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M955-1491?
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What is the minimum amount of M955-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M955-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M955-1491
  • 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 M955-1491 available by request