C489-0224 Screening compound: N-(3-methylbutyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

C489-0224 Screening compound: N-(3-methylbutyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
C489-0224 Screening compound: N-(3-methylbutyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0224
N-(3-methylbutyl)-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

C489-0224

Molecular Formula

C15H20N2O2S (C15 H20 N2 O2 S)

Compound Name

N-(3-methylbutyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

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

SMILES

CC(C)CCNC(CCN(c(cccc1)c1S1)C1=O)=O

InChI

InChI=1S/C15H20N2O2S/c1-11(2)7-9-16-14(18)8-10-17-12-5-3-4-6-13(12)20-15(17)19/h3-6,11H,7-10H2,1-2H3,(H,16,18)

InChI Key

QRZBFTWTAWEZLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05892594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.25

Polar Surface Area

40.374

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C489-0224 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C489-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0224?
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What is the minimum amount of C489-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0224
  • 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 C489-0224 available by request