8013-3025 Screening compound: 3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic acid

8013-3025 Screening compound: 3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic acid
8013-3025 Screening compound: 3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3025
3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic 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

8013-3025

Molecular Formula

C18H19NO5 (C18 H19 NO5)

Compound Name

3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic acid

IUPAC name

3-(4-methoxyphenyl)-3-(2-phenoxyacetamido)propanoic acid

SMILES

COc1ccc(C(CC(O)=O)NC(COc2ccccc2)=O)cc1

InChI

InChI=1S/C18H19NO5/c1-23-14-9-7-13(8-10-14)16(11-18(21)22)19-17(20)12-24-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m0/s1

InChI Key

BCARMDFIWROATH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03765891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

-0.424

Water Solubility, LogSw

-2.56

Polar Surface Area

67.495

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8013-3025 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-3025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3025?
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What is the minimum amount of 8013-3025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3025
  • 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 8013-3025 available by request