3953-1435 Screening compound: N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

3953-1435 Screening compound: N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
3953-1435 Screening compound: N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3953-1435
N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

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

3953-1435

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

IUPAC name

N-[(furan-2-yl)methyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)cc(NCc2ccco2)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C22H24N4O5S/c1-17-4-7-20(8-5-17)32(29,30)25-12-10-24(11-13-25)18-6-9-22(26(27)28)21(15-18)23-16-19-3-2-14-31-19/h2-9,14-15,23H,10-13,16H2,1H3

InChI Key

ZJPSJJDXXDIJSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.35

Polar Surface Area

85.576

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3953-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3953-1435?
Check Price and Availability of 3953-1435, 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 3953-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3953-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3953-1435
  • 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 3953-1435 available by request