8014-0490 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)piperazine

8014-0490 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)piperazine
8014-0490 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0490
1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)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

8014-0490

Molecular Formula

C31H33N5O4S (C31 H33 N5 O4 S)

Compound Name

1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)piperazine

IUPAC name

1-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]-4-(naphthalene-2-sulfonyl)piperazine

SMILES

[O-][N+](c(ccc(N(CC1)CCN1S(c1cc2ccccc2cc1)(=O)=O)c1)c1N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C31H33N5O4S/c37-36(38)30-13-11-28(23-31(30)34-16-14-32(15-17-34)24-25-6-2-1-3-7-25)33-18-20-35(21-19-33)41(39,40)29-12-10-26-8-4-5-9-27(26)22-29/h1-13,22-23H,14-21,24H2

InChI Key

UHLRSCJVZPJEMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03159267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-6.54

Polar Surface Area

74.711

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

8014-0490 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8014-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0490?
Check Price and Availability of 8014-0490, 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 8014-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0490
  • 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 8014-0490 available by request