M018-0646 Screening compound: N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]acetamide

M018-0646 Screening compound: N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]acetamide
M018-0646 Screening compound: N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M018-0646
N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]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

M018-0646

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]acetamide

IUPAC name

N-[4-(3-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-4-methoxyphenyl)-3-methyl-12-oxazol-5-yl]acetamide

SMILES

CC(Nc(onc1C)c1-c(cc1)cc(S(NCCC2=CCCCC2)(=O)=O)c1OC)=O

InChI

InChI=1S/C21H27N3O5S/c1-14-20(21(29-24-14)23-15(2)25)17-9-10-18(28-3)19(13-17)30(26,27)22-12-11-16-7-5-4-6-8-16/h7,9-10,13,22H,4-6,8,11-12H2,1-3H3,(H,23,25)

InChI Key

GUQSCUXKHRPYAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.802

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-3.53

Polar Surface Area

95.316

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M018-0646 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M018-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M018-0646?
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What is the minimum amount of M018-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M018-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M018-0646
  • 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 M018-0646 available by request