M149-0072 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

M149-0072 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
M149-0072 Screening compound: 2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M149-0072
2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)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

M149-0072

Molecular Formula

C22H18N6O2S (C22 H18 N6 O2 S)

Compound Name

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

IUPAC name

2-({5-[1-(4-cyanophenyl)-1H-imidazol-4-yl]-134-oxadiazol-2-yl}sulfanyl)-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(-c(nc3)cn3-c(cc3)ccc3C#N)o2)=O)cc(C)c1

InChI

InChI=1S/C22H18N6O2S/c1-14-7-15(2)9-17(8-14)25-20(29)12-31-22-27-26-21(30-22)19-11-28(13-24-19)18-5-3-16(10-23)4-6-18/h3-9,11,13H,12H2,1-2H3,(H,25,29)

InChI Key

BMSYSOPELKDFRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.67

Polar Surface Area

82.508

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M149-0072 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 M149-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M149-0072?
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What is the minimum amount of M149-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M149-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M149-0072
  • 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 M149-0072 available by request