M149-0080 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

M149-0080 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
M149-0080 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M149-0080
2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]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

M149-0080

Molecular Formula

C21H15FN6O2S (C21 H15 FN6 O2 S)

Compound Name

2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-134-oxadiazol-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

SMILES

N#Cc(cc1)ccc1-n1cnc(-c(o2)nnc2SCC(NCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C21H15FN6O2S/c22-16-5-1-15(2-6-16)10-24-19(29)12-31-21-27-26-20(30-21)18-11-28(13-25-18)17-7-3-14(9-23)4-8-17/h1-8,11,13H,10,12H2,(H,24,29)

InChI Key

FDXDHZLUSDMZSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-2.61

Polar Surface Area

83.830

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with M149-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M149-0080?
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What is the minimum amount of M149-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M149-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M149-0080
  • 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 M149-0080 available by request