8004-2858 Screening compound: N-{2-[4-(2-{3-chloro[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazino]-2-oxoethyl}-N-(3-chlorophenyl)-4-methyl-1-benzenesulfonamide

8004-2858 Screening compound: N-{2-[4-(2-{3-chloro[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazino]-2-oxoethyl}-N-(3-chlorophenyl)-4-methyl-1-benzenesulfonamide
8004-2858 Screening compound: N-{2-[4-(2-{3-chloro[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazino]-2-oxoethyl}-N-(3-chlorophenyl)-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2858
N-{2-[4-(2-{3-chloro[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazino]-2-oxoethyl}-N-(3-chlorophenyl)-4-methyl-1-benzenesulfonamide

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

8004-2858

Molecular Formula

C34H34Cl2N4O6S2 (C34 H34 Cl2 N4 O6 S2)

Compound Name

N-{2-[4-(2-{3-chloro[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazino]-2-oxoethyl}-N-(3-chlorophenyl)-4-methyl-1-benzenesulfonamide

IUPAC name

N-(3-chlorophenyl)-N-[2-(4-{2-[N-(3-chlorophenyl)4-methylbenzenesulfonamido]acetyl}piperazin-1-yl)-2-oxoethyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC(N(CC1)CCN1C(CN(c1cccc(Cl)c1)S(c1ccc(C)cc1)(=O)=O)=O)=O)c1cc(Cl)ccc1)(=O)=O

InChI

InChI=1S/C34H34Cl2N4O6S2/c1-25-9-13-31(14-10-25)47(43,44)39(29-7-3-5-27(35)21-29)23-33(41)37-17-19-38(20-18-37)34(42)24-40(30-8-4-6-28(36)22-30)48(45,46)32-15-11-26(2)12-16-32/h3-16,21-22H,17-20,23-24H2,1-2H3

InChI Key

LQAAIIWYDHCKBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

729.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.89

Polar Surface Area

95.939

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with 8004-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2858?
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What is the minimum amount of 8004-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2858
  • 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 8004-2858 available by request