C489-0221 Screening compound: N-(2-methylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

C489-0221 Screening compound: N-(2-methylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
C489-0221 Screening compound: N-(2-methylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0221
N-(2-methylpropyl)-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

C489-0221

Molecular Formula

C14H18N2O2S (C14 H18 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-10(2)9-15-13(17)7-8-16-11-5-3-4-6-12(11)19-14(16)18/h3-6,10H,7-9H2,1-2H3,(H,15,17)

InChI Key

PBCXMNGFHRKHDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.62

Polar Surface Area

40.533

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C489-0221 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C489-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0221?
Check Price and Availability of C489-0221, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C489-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0221
  • 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 C489-0221 available by request