G645-0462 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-3-phenylpropanamide

G645-0462 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-3-phenylpropanamide
G645-0462 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0462
N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-3-phenylpropanamide

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

G645-0462

Molecular Formula

C19H18N2O2S (C19 H18 N2 O2 S)

Compound Name

N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-3-phenylpropanamide

IUPAC name

N-[2-oxo-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-6-yl]-3-phenylpropanamide

SMILES

C=CCN(c(ccc(NC(CCc1ccccc1)=O)c1)c1S1)C1=O

InChI

InChI=1S/C19H18N2O2S/c1-2-12-21-16-10-9-15(13-17(16)24-19(21)23)20-18(22)11-8-14-6-4-3-5-7-14/h2-7,9-10,13H,1,8,11-12H2,(H,20,22)

InChI Key

KIMQTGHPHGLZKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

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

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.36

Polar Surface Area

38.939

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with G645-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0462?
Check Price and Availability of G645-0462, 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 G645-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0462
  • 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 G645-0462 available by request