4240-0061 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

4240-0061 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine
4240-0061 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0061
1-[(5-bromo-2-methoxyphenyl)methyl]-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

4240-0061

Molecular Formula

C18H20BrN3O5S (C18 H20 BrN3 O5 S)

Compound Name

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

IUPAC name

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

SMILES

COc(cc1)c(CN(CC2)CCN2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)cc1Br

InChI

InChI=1S/C18H20BrN3O5S/c1-27-18-7-2-15(19)12-14(18)13-20-8-10-21(11-9-20)28(25,26)17-5-3-16(4-6-17)22(23)24/h2-7,12H,8-11,13H2,1H3

InChI Key

VATDBXXWOXXILK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816264

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

470.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.77

Polar Surface Area

76.502

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4240-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0061?
Check Price and Availability of 4240-0061, 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 4240-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0061
  • 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 4240-0061 available by request