8012-1138 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline

8012-1138 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
8012-1138 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1138
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline

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

8012-1138

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline

IUPAC name

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline

SMILES

CC(c1ccccc1)Nc(cc(cc1)N(CC2)CCN2S(c2ccccc2)(=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C24H26N4O4S/c1-19(20-8-4-2-5-9-20)25-23-18-21(12-13-24(23)28(29)30)26-14-16-27(17-15-26)33(31,32)22-10-6-3-7-11-22/h2-13,18-19,25H,14-17H2,1H3/t19-/m0/s1

InChI Key

QTGRSDWBYMNKTP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02627869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.29

Polar Surface Area

76.990

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8012-1138 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8012-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1138?
Check Price and Availability of 8012-1138, 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 8012-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1138
  • 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 8012-1138 available by request