8002-7546 Screening compound: N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide

8002-7546 Screening compound: N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
8002-7546 Screening compound: N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7546
N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide

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

8002-7546

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide

IUPAC name

N'-(4-methylphenyl)-N-{2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethyl}ethanediamide

SMILES

Cc(cc1)ccc1NC(C(NCCN(CC1)CCN1S(c1cc2ccccc2cc1)(=O)=O)=O)=O

InChI

InChI=1S/C25H28N4O4S/c1-19-6-9-22(10-7-19)27-25(31)24(30)26-12-13-28-14-16-29(17-15-28)34(32,33)23-11-8-20-4-2-3-5-21(20)18-23/h2-11,18H,12-17H2,1H3,(H,26,30)(H,27,31)

InChI Key

FWXCOSJEKLPSKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.58

Polar Surface Area

83.086

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8002-7546 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-7546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7546?
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What is the minimum amount of 8002-7546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7546
  • 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 8002-7546 available by request