4049-0008 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-(4-NITROBENZENESULFONYL)PIPERAZINE

4049-0008 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-(4-NITROBENZENESULFONYL)PIPERAZINE
4049-0008 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-(4-NITROBENZENESULFONYL)PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4049-0008
2-METHYL-1-(3-METHYLPHENYL)-4-(4-NITROBENZENESULFONYL)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

4049-0008

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

2-METHYL-1-(3-METHYLPHENYL)-4-(4-NITROBENZENESULFONYL)PIPERAZINE

IUPAC name

n/a

SMILES

CC(CN(CC1)S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C18H21N3O4S/c1-14-4-3-5-17(12-14)20-11-10-19(13-15(20)2)26(24,25)18-8-6-16(7-9-18)21(22)23/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m0/s1

InChI Key

RFEATSAZYHGXQH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02931700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-3.85

Polar Surface Area

67.810

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4049-0008 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 4049-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4049-0008?
Check Price and Availability of 4049-0008, 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 4049-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4049-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4049-0008
  • 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 4049-0008 available by request