G645-0113 Screening compound: N-(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

G645-0113 Screening compound: N-(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
G645-0113 Screening compound: N-(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0113
N-(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-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

G645-0113

Molecular Formula

C17H16N2O3S2 (C17 H16 N2 O3 S2)

Compound Name

N-(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

IUPAC name

N-(2-oxo-23-dihydro-13-benzothiazol-6-yl)-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

O=C1Sc(cc(cc2)NS(c3cc(CCCC4)c4cc3)(=O)=O)c2N1

InChI

InChI=1S/C17H16N2O3S2/c20-17-18-15-8-6-13(10-16(15)23-17)19-24(21,22)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,18,20)

InChI Key

MIJGZFHQSMWDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.22

Polar Surface Area

64.956

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G645-0113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G645-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0113?
Check Price and Availability of G645-0113, 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 G645-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0113
  • 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 G645-0113 available by request