M149-0431 Screening compound: 2-{[5-(1-benzyl-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

M149-0431 Screening compound: 2-{[5-(1-benzyl-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide
M149-0431 Screening compound: 2-{[5-(1-benzyl-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M149-0431
2-{[5-(1-benzyl-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

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

M149-0431

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

2-{[5-(1-benzyl-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[5-(1-benzyl-1H-imidazol-4-yl)-134-oxadiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc1nnc(-c2cn(Cc3ccccc3)cn2)o1)NC1CCCCC1

InChI

InChI=1S/C20H23N5O2S/c26-18(22-16-9-5-2-6-10-16)13-28-20-24-23-19(27-20)17-12-25(14-21-17)11-15-7-3-1-4-8-15/h1,3-4,7-8,12,14,16H,2,5-6,9-11,13H2,(H,22,26)

InChI Key

GHVVOPWLPULHLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-2.94

Polar Surface Area

66.324

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M149-0431 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M149-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M149-0431?
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What is the minimum amount of M149-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M149-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M149-0431
  • 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 M149-0431 available by request