8010-3600 Screening compound: ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate

8010-3600 Screening compound: ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate
8010-3600 Screening compound: ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3600
ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate

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

8010-3600

Molecular Formula

C13H17N3O6S (C13 H17 N3 O6 S)

Compound Name

ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(3-nitrobenzenesulfonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C13H17N3O6S/c1-2-22-13(17)14-6-8-15(9-7-14)23(20,21)12-5-3-4-11(10-12)16(18)19/h3-5,10H,2,6-9H2,1H3

InChI Key

DFEFNNJALKVPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-2.64

Polar Surface Area

88.111

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8010-3600 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 8010-3600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3600?
Check Price and Availability of 8010-3600, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-3600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3600
  • 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 8010-3600 available by request