C201-0958 Screening compound: 1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)piperazine

C201-0958 Screening compound: 1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)piperazine
C201-0958 Screening compound: 1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0958
1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)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

C201-0958

Molecular Formula

C22H20N4O5S (C22 H20 N4 O5 S)

Compound Name

1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)piperazine

IUPAC name

1-[6-(benzenesulfonyl)pyridine-3-carbonyl]-4-(4-nitrophenyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c(cc1)cnc1S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H20N4O5S/c27-22(17-6-11-21(23-16-17)32(30,31)20-4-2-1-3-5-20)25-14-12-24(13-15-25)18-7-9-19(10-8-18)26(28)29/h1-11,16H,12-15H2

InChI Key

WVVHWXYBOVAYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.35

Polar Surface Area

91.942

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C201-0958 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0958?
Check Price and Availability of C201-0958, 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 C201-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0958
  • 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 C201-0958 available by request