M018-0785 Screening compound: N-(4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide

M018-0785 Screening compound: N-(4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide
M018-0785 Screening compound: N-(4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M018-0785
N-(4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-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

M018-0785

Molecular Formula

C21H21N3O7S (C21 H21 N3 O7 S)

Compound Name

N-(4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-3-methyl-1,2-oxazol-5-yl)acetamide

IUPAC name

N-(4-{3-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-4-methoxyphenyl}-3-methyl-12-oxazol-5-yl)acetamide

SMILES

CC(Nc(onc1C)c1-c(cc1)cc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c1OC)=O

InChI

InChI=1S/C21H21N3O7S/c1-12-20(21(31-23-12)22-13(2)25)14-4-6-17(28-3)19(10-14)32(26,27)24-15-5-7-16-18(11-15)30-9-8-29-16/h4-7,10-11,24H,8-9H2,1-3H3,(H,22,25)

InChI Key

CBWMDLMGFLXOLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

0.688

Water Solubility, LogSw

-2.44

Polar Surface Area

109.996

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M018-0785 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M018-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M018-0785?
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What is the minimum amount of M018-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M018-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M018-0785
  • 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 M018-0785 available by request