8013-8526 Screening compound: 1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)piperazine

8013-8526 Screening compound: 1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)piperazine
8013-8526 Screening compound: 1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8526
1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)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

8013-8526

Molecular Formula

C16H16ClN3O4S (C16 H16 ClN3 O4 S)

Compound Name

1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)piperazine

IUPAC name

1-(benzenesulfonyl)-4-(5-chloro-2-nitrophenyl)piperazine

SMILES

[O-][N+](c(ccc(Cl)c1)c1N(CC1)CCN1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C16H16ClN3O4S/c17-13-6-7-15(20(21)22)16(12-13)18-8-10-19(11-9-18)25(23,24)14-4-2-1-3-5-14/h1-7,12H,8-11H2

InChI Key

UFSMCMZZNQCOPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.77

Polar Surface Area

67.989

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-8526 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-8526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8526?
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What is the minimum amount of 8013-8526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8526
  • 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 8013-8526 available by request