G801-1466 Screening compound: 5-bromo-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-1466 Screening compound: 5-bromo-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-1466 Screening compound: 5-bromo-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-1466
5-bromo-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-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

G801-1466

Molecular Formula

C19H21BrN4O3S (C19 H21 BrN4 O3 S)

Compound Name

5-bromo-6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-bromo-6-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc1cc(N(CC2)CCN2S(c(cc(c(N2)c3)NC2=O)c3Br)(=O)=O)c(C)cc1

InChI

InChI=1S/C19H21BrN4O3S/c1-12-3-4-13(2)17(9-12)23-5-7-24(8-6-23)28(26,27)18-11-16-15(10-14(18)20)21-19(25)22-16/h3-4,9-11H,5-8H2,1-2H3,(H2,21,22,25)

InChI Key

NKUYJJJWVPHBTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-3.87

Polar Surface Area

70.636

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G801-1466 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G801-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-1466?
Check Price and Availability of G801-1466, 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 G801-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-1466
  • 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 G801-1466 available by request