2053-0199 Screening compound: 2-(4-NITROPHENYL)-2-OXOETHYL 2-[(THIOPHEN-2-YL)FORMAMIDO]ACETATE

2053-0199 Screening compound: 2-(4-NITROPHENYL)-2-OXOETHYL 2-[(THIOPHEN-2-YL)FORMAMIDO]ACETATE
2053-0199 Screening compound: 2-(4-NITROPHENYL)-2-OXOETHYL 2-[(THIOPHEN-2-YL)FORMAMIDO]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0199
2-(4-NITROPHENYL)-2-OXOETHYL 2-[(THIOPHEN-2-YL)FORMAMIDO]ACETATE

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

2053-0199

Molecular Formula

C15H12N2O6S (C15 H12 N2 O6 S)

Compound Name

2-(4-NITROPHENYL)-2-OXOETHYL 2-[(THIOPHEN-2-YL)FORMAMIDO]ACETATE

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)ccc1C(COC(CNC(c1cccs1)=O)=O)=O)=O

InChI

InChI=1S/C15H12N2O6S/c18-12(10-3-5-11(6-4-10)17(21)22)9-23-14(19)8-16-15(20)13-2-1-7-24-13/h1-7H,8-9H2,(H,16,20)

InChI Key

QMSATIKBLGPXRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.45

Polar Surface Area

92.833

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

2053-0199 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 2053-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0199?
Check Price and Availability of 2053-0199, 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 2053-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0199
  • 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 2053-0199 available by request