8016-2529 Screening compound: 5-[4-(ethanesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

8016-2529 Screening compound: 5-[4-(ethanesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
8016-2529 Screening compound: 5-[4-(ethanesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2529
5-[4-(ethanesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

8016-2529

Molecular Formula

C15H21N5O5S (C15 H21 N5 O5 S)

Compound Name

5-[4-(ethanesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[4-(ethanesulfonyl)piperazin-1-yl]-13-dimethyl-6-nitro-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCS(N(CC1)CCN1c(cc(c(N1C)c2)N(C)C1=O)c2[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C15H21N5O5S/c1-4-26(24,25)19-7-5-18(6-8-19)13-9-11-12(10-14(13)20(22)23)17(3)15(21)16(11)2/h9-10H,4-8H2,1-3H3

InChI Key

PRMLGLGCHNACHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.153

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-2.02

Polar Surface Area

85.840

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8016-2529 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2529?
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What is the minimum amount of 8016-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2529
  • 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 8016-2529 available by request