C489-0289 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]propanamide

C489-0289 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]propanamide
C489-0289 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0289
3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]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

C489-0289

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]propanamide

IUPAC name

3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(CCN(c(cccc1)c1S1)C1=O)=O

InChI

InChI=1S/C19H20N2O2S/c1-13(2)14-7-9-15(10-8-14)20-18(22)11-12-21-16-5-3-4-6-17(16)24-19(21)23/h3-10,13H,11-12H2,1-2H3,(H,20,22)

InChI Key

AWIWOQHTLLLSII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

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

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.09

Polar Surface Area

38.939

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C489-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0289?
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What is the minimum amount of C489-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0289
  • 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 C489-0289 available by request