4483-1393 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3-[(4-acetamidophenyl)carbamoyl]propanoate

4483-1393 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3-[(4-acetamidophenyl)carbamoyl]propanoate
4483-1393 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 3-[(4-acetamidophenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1393
2-(3-nitrophenyl)-2-oxoethyl 3-[(4-acetamidophenyl)carbamoyl]propanoate

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

4483-1393

Molecular Formula

C20H19N3O7 (C20 H19 N3 O7)

Compound Name

2-(3-nitrophenyl)-2-oxoethyl 3-[(4-acetamidophenyl)carbamoyl]propanoate

IUPAC name

n/a

SMILES

CC(Nc(cc1)ccc1NC(CCC(OCC(c1cccc([N+]([O-])=O)c1)=O)=O)=O)=O

InChI

InChI=1S/C20H19N3O7/c1-13(24)21-15-5-7-16(8-6-15)22-19(26)9-10-20(27)30-12-18(25)14-3-2-4-17(11-14)23(28)29/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H,22,26)

InChI Key

OTVQVNOZHAMDTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

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

1.873

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.56

Polar Surface Area

113.541

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4483-1393 in Drug Discovery

Included in Screening Libraries

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 4483-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1393?
Check Price and Availability of 4483-1393, 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 4483-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1393
  • 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 4483-1393 available by request