C489-0245 Screening compound: N-CYCLOHEPTYL-3-(2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDE

C489-0245 Screening compound: N-CYCLOHEPTYL-3-(2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDE
C489-0245 Screening compound: N-CYCLOHEPTYL-3-(2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0245
N-CYCLOHEPTYL-3-(2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDE

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

C489-0245

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

N-CYCLOHEPTYL-3-(2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDE

IUPAC name

N-cycloheptyl-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

O=C(CCN(c(cccc1)c1S1)C1=O)NC1CCCCCC1

InChI

InChI=1S/C17H22N2O2S/c20-16(18-13-7-3-1-2-4-8-13)11-12-19-14-9-5-6-10-15(14)22-17(19)21/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,18,20)

InChI Key

OGPCZJUWPMJYQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.97

Polar Surface Area

40.318

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

C489-0245 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C489-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0245?
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What is the minimum amount of C489-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0245
  • 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 C489-0245 available by request