4478-5371 Screening compound: 4-(2-phenylacetamido)butanoic acid

4478-5371 Screening compound: 4-(2-phenylacetamido)butanoic acid
4478-5371 Screening compound: 4-(2-phenylacetamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5371
4-(2-phenylacetamido)butanoic acid

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

4478-5371

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

4-(2-phenylacetamido)butanoic acid

IUPAC name

4-(2-phenylacetamido)butanoic acid

SMILES

OC(CCCNC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C12H15NO3/c14-11(13-8-4-7-12(15)16)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)(H,15,16)

InChI Key

NIDZZEUGNIZNMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.288

Distribution Coefficient, logD

-2.533

Water Solubility, LogSw

-1.47

Polar Surface Area

52.935

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4478-5371 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 4478-5371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5371?
Check Price and Availability of 4478-5371, 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 4478-5371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5371
  • 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 4478-5371 available by request