D400-6159 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine

D400-6159 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine
D400-6159 Screening compound: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6159
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine

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

D400-6159

Molecular Formula

C21H23FN4O4S (C21 H23 FN4 O4 S)

Compound Name

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine

IUPAC name

1-[3-(5-ethyl-124-oxadiazol-3-yl)-4-methoxybenzenesulfonyl]-4-(2-fluorophenyl)piperazine

SMILES

CCc1nc(-c(cc(cc2)S(N(CC3)CCN3c(cccc3)c3F)(=O)=O)c2OC)no1

InChI

InChI=1S/C21H23FN4O4S/c1-3-20-23-21(24-30-20)16-14-15(8-9-19(16)29-2)31(27,28)26-12-10-25(11-13-26)18-7-5-4-6-17(18)22/h4-9,14H,3,10-13H2,1-2H3

InChI Key

GAPCIGUKXHUMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.07

Polar Surface Area

73.882

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D400-6159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D400-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6159?
Check Price and Availability of D400-6159, 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 D400-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6159
  • 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 D400-6159 available by request