G008-4580 Screening compound: 4-(4-chlorophenyl)piperazino [2-ethyl-5-(3-methyl-5-isoxazolyl)phenyl] sulfone

G008-4580 Screening compound: 4-(4-chlorophenyl)piperazino [2-ethyl-5-(3-methyl-5-isoxazolyl)phenyl] sulfone
G008-4580 Screening compound: 4-(4-chlorophenyl)piperazino [2-ethyl-5-(3-methyl-5-isoxazolyl)phenyl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-4580
4-(4-chlorophenyl)piperazino [2-ethyl-5-(3-methyl-5-isoxazolyl)phenyl] sulfone

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

G008-4580

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

4-(4-chlorophenyl)piperazino [2-ethyl-5-(3-methyl-5-isoxazolyl)phenyl] sulfone

IUPAC name

1-(4-chlorophenyl)-4-[2-ethyl-5-(3-methyl-12-oxazol-5-yl)benzenesulfonyl]piperazine

SMILES

CCc(ccc(-c1cc(C)no1)c1)c1S(N(CC1)CCN1c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H24ClN3O3S/c1-3-17-4-5-18(21-14-16(2)24-29-21)15-22(17)30(27,28)26-12-10-25(11-13-26)20-8-6-19(23)7-9-20/h4-9,14-15H,3,10-13H2,1-2H3

InChI Key

VAEHVJDGBYNUOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-5.36

Polar Surface Area

56.551

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

G008-4580 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G008-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-4580?
Check Price and Availability of G008-4580, 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 G008-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-4580
  • 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 G008-4580 available by request