C697-0374 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

C697-0374 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide
C697-0374 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0374
N-(2H-1,3-benzodioxol-5-yl)-1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)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

C697-0374

Molecular Formula

C21H26N4O6S (C21 H26 N4 O6 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-({5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/N(C)C)c1S(N(CCC1)CC1C(Nc(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C21H26N4O6S/c1-14-20(18(31-23-14)8-10-24(2)3)32(27,28)25-9-4-5-15(12-25)21(26)22-16-6-7-17-19(11-16)30-13-29-17/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3,(H,22,26)/t15-/m0/s1

InChI Key

CEMDHTZVUXDXDG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14783935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.894

Distribution Coefficient, logD

0.893

Water Solubility, LogSw

-2.44

Polar Surface Area

97.375

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C697-0374 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 C697-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0374?
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What is the minimum amount of C697-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0374
  • 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 C697-0374 available by request