M955-0007 Screening compound: N-(4-bromo-2-methylphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide

M955-0007 Screening compound: N-(4-bromo-2-methylphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide
M955-0007 Screening compound: N-(4-bromo-2-methylphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M955-0007
N-(4-bromo-2-methylphenyl)-2-[2,5-dimethyl-3-(5-methyl-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

M955-0007

Molecular Formula

C18H19BrN4O2 (C18 H19 BrN4 O2)

Compound Name

N-(4-bromo-2-methylphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-[25-dimethyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide

SMILES

Cc1cc(-c2nnc(C)o2)c(C)n1CC(Nc(cc1)c(C)cc1Br)=O

InChI

InChI=1S/C18H19BrN4O2/c1-10-7-14(19)5-6-16(10)20-17(24)9-23-11(2)8-15(12(23)3)18-22-21-13(4)25-18/h5-8H,9H2,1-4H3,(H,20,24)

InChI Key

FBQQLZIKUSJPOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.10

Polar Surface Area

54.355

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M955-0007 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M955-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M955-0007?
Check Price and Availability of M955-0007, 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 M955-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M955-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M955-0007
  • 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 M955-0007 available by request