M956-1086 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamide

M956-1086 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamide
M956-1086 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M956-1086
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-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

M956-1086

Molecular Formula

C20H21ClN4O3 (C20 H21 ClN4 O3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-1-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[3-(3-cyclopropyl-124-oxadiazol-5-yl)-25-dimethyl-1H-pyrrol-1-yl]acetamide

SMILES

Cc1cc(-c2nc(C3CC3)no2)c(C)n1CC(Nc(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C20H21ClN4O3/c1-11-8-15(20-23-19(24-28-20)13-4-5-13)12(2)25(11)10-18(26)22-14-6-7-17(27-3)16(21)9-14/h6-9,13H,4-5,10H2,1-3H3,(H,22,26)

InChI Key

SDTRTGZCAWSUQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

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

4.213

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.47

Polar Surface Area

64.869

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M956-1086 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M956-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M956-1086?
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What is the minimum amount of M956-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M956-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M956-1086
  • 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 M956-1086 available by request