4327-0035 Screening compound: 4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine

4327-0035 Screening compound: 4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine
4327-0035 Screening compound: 4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-0035
4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine

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

4327-0035

Molecular Formula

C12H16ClN3O4S (C12 H16 ClN3 O4 S)

Compound Name

4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine

IUPAC name

4-(2-chloro-4-nitrophenyl)-1-methanesulfonyl-2-methylpiperazine

SMILES

CC(CN(CC1)c(ccc([N+]([O-])=O)c2)c2Cl)N1S(C)(=O)=O

InChI

InChI=1S/C12H16ClN3O4S/c1-9-8-14(5-6-15(9)21(2,19)20)12-4-3-10(16(17)18)7-11(12)13/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1

InChI Key

YGCSFYWXSMBDES-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02216867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-3.08

Polar Surface Area

68.050

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4327-0035 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4327-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-0035?
Check Price and Availability of 4327-0035, 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 4327-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-0035
  • 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 4327-0035 available by request