M018-0139 Screening compound: N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide

M018-0139 Screening compound: N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide
M018-0139 Screening compound: N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M018-0139
N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-1,2-oxazol-5-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

M018-0139

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide

IUPAC name

N-(4-{3-[(3-cyanophenyl)sulfamoyl]-4-methylphenyl}-3-methyl-12-oxazol-5-yl)acetamide

SMILES

CC(Nc(onc1C)c1-c1cc(S(Nc2cc(C#N)ccc2)(=O)=O)c(C)cc1)=O

InChI

InChI=1S/C20H18N4O4S/c1-12-7-8-16(19-13(2)23-28-20(19)22-14(3)25)10-18(12)29(26,27)24-17-6-4-5-15(9-17)11-21/h4-10,24H,1-3H3,(H,22,25)

InChI Key

GAKWVRQEZSRWMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

1.012

Water Solubility, LogSw

-3.31

Polar Surface Area

103.599

Acid Dissociation Constant (pKa)

5.68

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M018-0139 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Epigenetics Focused Set (26518 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M018-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M018-0139?
Check Price and Availability of M018-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M018-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M018-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M018-0139
  • 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 M018-0139 available by request