G645-0463 Screening compound: 3-methyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]butanamide

G645-0463 Screening compound: 3-methyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]butanamide
G645-0463 Screening compound: 3-methyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0463
3-methyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]butanamide

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

G645-0463

Molecular Formula

C15H18N2O2S (C15 H18 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(Nc(cc1)cc(S2)c1N(CC=C)C2=O)=O

InChI

InChI=1S/C15H18N2O2S/c1-4-7-17-12-6-5-11(9-13(12)20-15(17)19)16-14(18)8-10(2)3/h4-6,9-10H,1,7-8H2,2-3H3,(H,16,18)

InChI Key

REKONROFFPWZFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

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

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.98

Polar Surface Area

39.211

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G645-0463 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 G645-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0463?
Check Price and Availability of G645-0463, 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 G645-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0463
  • 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 G645-0463 available by request