C489-0345 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

C489-0345 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
C489-0345 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0345
N-(2-methoxy-5-methylphenyl)-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

C489-0345

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

Cc(cc1)cc(NC(CCN(c(cccc2)c2S2)C2=O)=O)c1OC

InChI

InChI=1S/C18H18N2O3S/c1-12-7-8-15(23-2)13(11-12)19-17(21)9-10-20-14-5-3-4-6-16(14)24-18(20)22/h3-8,11H,9-10H2,1-2H3,(H,19,21)

InChI Key

REZGFQYRYARYOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.45

Polar Surface Area

45.872

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C489-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0345?
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What is the minimum amount of C489-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0345
  • 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 C489-0345 available by request