4265-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline

4265-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline
4265-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4265-2571
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}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

4265-2571

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline

IUPAC name

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline

SMILES

CC(C)c1ccc(CNc(cc(cc2)N(CC3)CCN3S(c3ccccc3)(=O)=O)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C26H30N4O4S/c1-20(2)22-10-8-21(9-11-22)19-27-25-18-23(12-13-26(25)30(31)32)28-14-16-29(17-15-28)35(33,34)24-6-4-3-5-7-24/h3-13,18,20,27H,14-17,19H2,1-2H3

InChI Key

MOAKDGUXXBPKHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.39

Polar Surface Area

77.827

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4265-2571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4265-2571?
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What is the minimum amount of 4265-2571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4265-2571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4265-2571
  • 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 4265-2571 available by request