G645-1800 Screening compound: 3,4-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

G645-1800 Screening compound: 3,4-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
G645-1800 Screening compound: 3,4-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-1800
3,4-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

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

G645-1800

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

3,4-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

IUPAC name

34-dimethyl-N-[2-oxo-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-6-yl]benzene-1-sulfonamide

SMILES

Cc(cc1)c(C)cc1S(Nc(cc1)cc(S2)c1N(CC=C)C2=O)(=O)=O

InChI

InChI=1S/C18H18N2O3S2/c1-4-9-20-16-8-6-14(11-17(16)24-18(20)21)19-25(22,23)15-7-5-12(2)13(3)10-15/h4-8,10-11,19H,1,9H2,2-3H3

InChI Key

VNFSGNPMYGSEPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.39

Polar Surface Area

56.711

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G645-1800 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G645-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-1800?
Check Price and Availability of G645-1800, 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 G645-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-1800
  • 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 G645-1800 available by request