1606-0044 Screening compound: 2-oxo-2-phenylethyl 3-[(3-nitrophenyl)carbamoyl]propanoate

1606-0044 Screening compound: 2-oxo-2-phenylethyl 3-[(3-nitrophenyl)carbamoyl]propanoate
1606-0044 Screening compound: 2-oxo-2-phenylethyl 3-[(3-nitrophenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0044
2-oxo-2-phenylethyl 3-[(3-nitrophenyl)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

1606-0044

Molecular Formula

C18H16N2O6 (C18 H16 N2 O6)

Compound Name

2-oxo-2-phenylethyl 3-[(3-nitrophenyl)carbamoyl]propanoate

IUPAC name

2-oxo-2-phenylethyl 3-[(3-nitrophenyl)carbamoyl]propanoate

SMILES

[O-][N+](c1cc(NC(CCC(OCC(c2ccccc2)=O)=O)=O)ccc1)=O

InChI

InChI=1S/C18H16N2O6/c21-16(13-5-2-1-3-6-13)12-26-18(23)10-9-17(22)19-14-7-4-8-15(11-14)20(24)25/h1-8,11H,9-10,12H2,(H,19,22)

InChI Key

LZRYCFPYPDIDDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-3.06

Polar Surface Area

90.279

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1606-0044 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1606-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0044?
Check Price and Availability of 1606-0044, 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 1606-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0044
  • 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 1606-0044 available by request