M149-0014 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide

M149-0014 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
M149-0014 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M149-0014
2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methoxyphenyl)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

M149-0014

Molecular Formula

C21H16N6O3S (C21 H16 N6 O3 S)

Compound Name

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

IUPAC name

2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-134-oxadiazol-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CSc2nnc(-c(nc3)cn3-c(cc3)ccc3C#N)o2)=O)c1

InChI

InChI=1S/C21H16N6O3S/c1-29-17-4-2-3-15(9-17)24-19(28)12-31-21-26-25-20(30-21)18-11-27(13-23-18)16-7-5-14(10-22)6-8-16/h2-9,11,13H,12H2,1H3,(H,24,28)

InChI Key

QDQIDNQWNFBHRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.42

Polar Surface Area

90.052

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M149-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M149-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M149-0014?
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What is the minimum amount of M149-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M149-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M149-0014
  • 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 M149-0014 available by request