M955-1949 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-1H-pyrrol-1-yl}acetamide

M955-1949 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-1H-pyrrol-1-yl}acetamide
M955-1949 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-1H-pyrrol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M955-1949
N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-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

M955-1949

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

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

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-2-{3-[5-(furan-2-yl)-134-oxadiazol-2-yl]-25-dimethyl-1H-pyrrol-1-yl}acetamide

SMILES

Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(NCc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C21H18ClFN4O3/c1-12-8-16(20-25-26-21(30-20)18-4-3-7-29-18)13(2)27(12)11-19(28)24-10-14-5-6-15(23)9-17(14)22/h3-9H,10-11H2,1-2H3,(H,24,28)

InChI Key

FXZTVQONIPOYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.91

Polar Surface Area

65.454

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M955-1949 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with M955-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M955-1949?
Check Price and Availability of M955-1949, 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 M955-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M955-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M955-1949
  • 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 M955-1949 available by request