2053-0194 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}acetate

2053-0194 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}acetate
2053-0194 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0194
2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}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

2053-0194

Molecular Formula

C19H16BrN3O7 (C19 H16 BrN3 O7)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}acetate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 2-{2-[(4-bromophenyl)formamido]acetamido}acetate

SMILES

[O-][N+](c(cc1)ccc1C(COC(CNC(CNC(c(cc1)ccc1Br)=O)=O)=O)=O)=O

InChI

InChI=1S/C19H16BrN3O7/c20-14-5-1-13(2-6-14)19(27)22-9-17(25)21-10-18(26)30-11-16(24)12-3-7-15(8-4-12)23(28)29/h1-8H,9-11H2,(H,21,25)(H,22,27)

InChI Key

OBRCOSPXDPXLRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.26

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-3.16

Polar Surface Area

116.286

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

2053-0194 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 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 2053-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0194?
Check Price and Availability of 2053-0194, 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 2053-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0194
  • 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 2053-0194 available by request