3531-3837 Screening compound: ethyl 4-[2-(2,4,6-trimethylphenoxy)acetamido]benzoate

3531-3837 Screening compound: ethyl 4-[2-(2,4,6-trimethylphenoxy)acetamido]benzoate
3531-3837 Screening compound: ethyl 4-[2-(2,4,6-trimethylphenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3531-3837
ethyl 4-[2-(2,4,6-trimethylphenoxy)acetamido]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

3531-3837

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

ethyl 4-[2-(2,4,6-trimethylphenoxy)acetamido]benzoate

IUPAC name

ethyl 4-[2-(246-trimethylphenoxy)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc1c(C)cc(C)cc1C)=O)=O

InChI

InChI=1S/C20H23NO4/c1-5-24-20(23)16-6-8-17(9-7-16)21-18(22)12-25-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,21,22)

InChI Key

HAHYXGAUOKBGHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02673479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

5.210

Water Solubility, LogSw

-5.01

Polar Surface Area

51.542

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3531-3837 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3531-3837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3531-3837?
Check Price and Availability of 3531-3837, 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 3531-3837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3531-3837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3531-3837
  • 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 3531-3837 available by request