Y030-5552 Screening compound: ethyl 3-(2-phenylbutanamido)benzoate

Y030-5552 Screening compound: ethyl 3-(2-phenylbutanamido)benzoate
Y030-5552 Screening compound: ethyl 3-(2-phenylbutanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5552
ethyl 3-(2-phenylbutanamido)benzoate

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

Y030-5552

Molecular Formula

C19H21NO3 (C19 H21 NO3)

Compound Name

ethyl 3-(2-phenylbutanamido)benzoate

IUPAC name

ethyl 3-(2-phenylbutanamido)benzoate

SMILES

CCC(C(Nc1cccc(C(OCC)=O)c1)=O)c1ccccc1

InChI

InChI=1S/C19H21NO3/c1-3-17(14-9-6-5-7-10-14)18(21)20-16-12-8-11-15(13-16)19(22)23-4-2/h5-13,17H,3-4H2,1-2H3,(H,20,21)/t17-/m1/s1

InChI Key

SCAVVCYDDJTEBQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02862480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.39

Polar Surface Area

44.083

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

Y030-5552 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y030-5552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5552?
Check Price and Availability of Y030-5552, 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 Y030-5552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5552
  • 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 Y030-5552 available by request