C697-0359 Screening compound: 1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C697-0359 Screening compound: 1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
C697-0359 Screening compound: 1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0359
1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

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

C697-0359

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

IUPAC name

1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)-N-(246-trimethylphenyl)piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/N(C)C)c1S(N(CCC1)CC1C(Nc1c(C)cc(C)cc1C)=O)(=O)=O

InChI

InChI=1S/C23H32N4O4S/c1-15-12-16(2)21(17(3)13-15)24-23(28)19-8-7-10-27(14-19)32(29,30)22-18(4)25-31-20(22)9-11-26(5)6/h9,11-13,19H,7-8,10,14H2,1-6H3,(H,24,28)/t19-/m0/s1

InChI Key

GNKMGMFDWXKKIV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14783933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.765

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.54

Polar Surface Area

78.864

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C697-0359 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C697-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0359?
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What is the minimum amount of C697-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0359
  • 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 C697-0359 available by request