4554-3074 Screening compound: 3-methyl-2-(2-phenoxyacetamido)butanoic acid

4554-3074 Screening compound: 3-methyl-2-(2-phenoxyacetamido)butanoic acid
4554-3074 Screening compound: 3-methyl-2-(2-phenoxyacetamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-3074
3-methyl-2-(2-phenoxyacetamido)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

4554-3074

Molecular Formula

C13H17NO4 (C13 H17 NO4)

Compound Name

3-methyl-2-(2-phenoxyacetamido)butanoic acid

IUPAC name

3-methyl-2-(2-phenoxyacetamido)butanoic acid

SMILES

CC(C)C(C(O)=O)NC(COc1ccccc1)=O

InChI

InChI=1S/C13H17NO4/c1-9(2)12(13(16)17)14-11(15)8-18-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17)/t12-/m0/s1

InChI Key

CLSLDFKGBNDDJJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03826937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.392

Distribution Coefficient, logD

-3.195

Water Solubility, LogSw

-1.61

Polar Surface Area

59.969

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

4554-3074 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4554-3074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-3074?
Check Price and Availability of 4554-3074, 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 4554-3074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-3074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-3074
  • 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 4554-3074 available by request