G645-0406 Screening compound: N~4~-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,5-dimethyl-4-isoxazolesulfonamide

G645-0406 Screening compound: N~4~-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,5-dimethyl-4-isoxazolesulfonamide
G645-0406 Screening compound: N~4~-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,5-dimethyl-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0406
N~4~-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,5-dimethyl-4-isoxazolesulfonamide

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

G645-0406

Molecular Formula

C15H17N3O4S2 (C15 H17 N3 O4 S2)

Compound Name

N~4~-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3,5-dimethyl-4-isoxazolesulfonamide

IUPAC name

n/a

SMILES

CC(C)N(c(ccc(NS(c1c(C)onc1C)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C15H17N3O4S2/c1-8(2)18-12-6-5-11(7-13(12)23-15(18)19)17-24(20,21)14-9(3)16-22-10(14)4/h5-8,17H,1-4H3

InChI Key

XNVZSLHEHMGWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.53

Polar Surface Area

78.491

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

G645-0406 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G645-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0406?
Check Price and Availability of G645-0406, 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 G645-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0406
  • 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 G645-0406 available by request