G645-1805 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide

G645-1805 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide
G645-1805 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-1805
N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-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

G645-1805

Molecular Formula

C14H12N2O3S3 (C14 H12 N2 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(c(ccc(NS(c1cccs1)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C14H12N2O3S3/c1-2-7-16-11-6-5-10(9-12(11)21-14(16)17)15-22(18,19)13-4-3-8-20-13/h2-6,8-9,15H,1,7H2

InChI Key

CNNMULMUYLUWRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

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

3.542

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.83

Polar Surface Area

57.729

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with G645-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-1805?
Check Price and Availability of G645-1805, 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 G645-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-1805
  • 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 G645-1805 available by request