Y031-8954 Screening compound: ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}benzoate

Y031-8954 Screening compound: ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}benzoate
Y031-8954 Screening compound: ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8954
ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}benzoate

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

Y031-8954

Molecular Formula

C15H14N2O6S (C15 H14 N2 O6 S)

Compound Name

ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}benzoate

IUPAC name

ethyl 2-(2-nitrobenzenesulfonamido)benzoate

SMILES

CCOC(c(cccc1)c1NS(c(cccc1)c1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C15H14N2O6S/c1-2-23-15(18)11-7-3-4-8-12(11)16-24(21,22)14-10-6-5-9-13(14)17(19)20/h3-10,16H,2H2,1H3

InChI Key

YPIZUZLRZNABRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

0.029

Water Solubility, LogSw

-3.74

Polar Surface Area

94.024

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

-13.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y031-8954 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-8954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8954?
Check Price and Availability of Y031-8954, 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 Y031-8954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8954
  • 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 Y031-8954 available by request