8016-6258 Screening compound: ethyl 3-(benzoylamino)-3-(3-nitrophenyl)propanoate

8016-6258 Screening compound: ethyl 3-(benzoylamino)-3-(3-nitrophenyl)propanoate
8016-6258 Screening compound: ethyl 3-(benzoylamino)-3-(3-nitrophenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6258
ethyl 3-(benzoylamino)-3-(3-nitrophenyl)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

8016-6258

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

ethyl 3-(benzoylamino)-3-(3-nitrophenyl)propanoate

IUPAC name

ethyl 3-(3-nitrophenyl)-3-(phenylformamido)propanoate

SMILES

CCOC(CC(c1cccc([N+]([O-])=O)c1)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C18H18N2O5/c1-2-25-17(21)12-16(14-9-6-10-15(11-14)20(23)24)19-18(22)13-7-4-3-5-8-13/h3-11,16H,2,12H2,1H3,(H,19,22)/t16-/m0/s1

InChI Key

GNNMVQZHPKKOOD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04154640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.39

Polar Surface Area

77.822

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8016-6258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6258?
Check Price and Availability of 8016-6258, 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 8016-6258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6258
  • 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 8016-6258 available by request