G801-0191 Screening compound: 5-(azepane-1-sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-0191 Screening compound: 5-(azepane-1-sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-0191 Screening compound: 5-(azepane-1-sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0191
5-(azepane-1-sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

G801-0191

Molecular Formula

C15H21N3O3S (C15 H21 N3 O3 S)

Compound Name

5-(azepane-1-sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-(azepane-1-sulfonyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(S(N1CCCCCC1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C15H21N3O3S/c1-16-13-8-7-12(11-14(13)17(2)15(16)19)22(20,21)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3

InChI Key

LQPDKZIQDDLURY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10045183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.79

Polar Surface Area

49.965

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

G801-0191 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G801-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0191?
Check Price and Availability of G801-0191, 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 G801-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0191
  • 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 G801-0191 available by request