8013-8543 Screening compound: 1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)piperazine

8013-8543 Screening compound: 1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)piperazine
8013-8543 Screening compound: 1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8543
1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)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

8013-8543

Molecular Formula

C23H31N5O5S (C23 H31 N5 O5 S)

Compound Name

1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)piperazine

IUPAC name

1-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(2-methoxyphenyl)piperazine

SMILES

CCS(N(CC1)CCN1c(cc1)cc(N(CC2)CCN2c(cccc2)c2OC)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C23H31N5O5S/c1-3-34(31,32)27-16-14-24(15-17-27)19-8-9-20(28(29)30)22(18-19)26-12-10-25(11-13-26)21-6-4-5-7-23(21)33-2/h4-9,18H,3,10-17H2,1-2H3

InChI Key

HOZUMEPLUIMJIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.70

Polar Surface Area

82.197

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 8013-8543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8543?
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What is the minimum amount of 8013-8543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8543
  • 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 8013-8543 available by request