G645-0479 Screening compound: 3-methoxy-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide

G645-0479 Screening compound: 3-methoxy-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide
G645-0479 Screening compound: 3-methoxy-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0479
3-methoxy-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzamide

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

G645-0479

Molecular Formula

C18H16N2O3S (C18 H16 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(Nc(cc2)cc(S3)c2N(CC=C)C3=O)=O)c1

InChI

InChI=1S/C18H16N2O3S/c1-3-9-20-15-8-7-13(11-16(15)24-18(20)22)19-17(21)12-5-4-6-14(10-12)23-2/h3-8,10-11H,1,9H2,2H3,(H,19,21)

InChI Key

OZDIWCGDXFHSHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

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

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.17

Polar Surface Area

46.696

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G645-0479 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G645-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0479?
Check Price and Availability of G645-0479, 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 G645-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0479
  • 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 G645-0479 available by request