C113-0140 Screening compound: 1-{4-[4-(2,1,3-BENZOXADIAZOLE-4-SULFONYL)PIPERAZIN-1-YL]PHENYL}ETHAN-1-ONE

C113-0140 Screening compound: 1-{4-[4-(2,1,3-BENZOXADIAZOLE-4-SULFONYL)PIPERAZIN-1-YL]PHENYL}ETHAN-1-ONE
C113-0140 Screening compound: 1-{4-[4-(2,1,3-BENZOXADIAZOLE-4-SULFONYL)PIPERAZIN-1-YL]PHENYL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0140
1-{4-[4-(2,1,3-BENZOXADIAZOLE-4-SULFONYL)PIPERAZIN-1-YL]PHENYL}ETHAN-1-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

C113-0140

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

1-{4-[4-(2,1,3-BENZOXADIAZOLE-4-SULFONYL)PIPERAZIN-1-YL]PHENYL}ETHAN-1-ONE

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-13(23)14-5-7-15(8-6-14)21-9-11-22(12-10-21)27(24,25)17-4-2-3-16-18(17)20-26-19-16/h2-8H,9-12H2,1H3

InChI Key

MTSBBHQEEJSRHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03086442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-2.79

Polar Surface Area

85.126

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C113-0140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C113-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0140?
Check Price and Availability of C113-0140, 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 C113-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0140
  • 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 C113-0140 available by request