C797-0355 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C797-0355 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C797-0355 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0355
N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-1,3-benzothiazole-6-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

C797-0355

Molecular Formula

C21H32N4OS (C21 H32 N4 OS)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CCCCN(C)CCCNC(c(cc1)cc2c1nc(N1CCCCC1)s2)=O

InChI

InChI=1S/C21H32N4OS/c1-3-4-12-24(2)13-8-11-22-20(26)17-9-10-18-19(16-17)27-21(23-18)25-14-6-5-7-15-25/h9-10,16H,3-8,11-15H2,1-2H3,(H,22,26)

InChI Key

FLSLBDIZWSPTFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-3.89

Polar Surface Area

41.825

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C797-0355 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C797-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0355?
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What is the minimum amount of C797-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0355
  • 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 C797-0355 available by request