2712-4494 Screening compound: butyl 3-[2-(2,6-dimethylphenoxy)acetamido]benzoate

2712-4494 Screening compound: butyl 3-[2-(2,6-dimethylphenoxy)acetamido]benzoate
2712-4494 Screening compound: butyl 3-[2-(2,6-dimethylphenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4494
butyl 3-[2-(2,6-dimethylphenoxy)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

2712-4494

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

butyl 3-[2-(2,6-dimethylphenoxy)acetamido]benzoate

IUPAC name

butyl 3-[2-(26-dimethylphenoxy)acetamido]benzoate

SMILES

CCCCOC(c1cc(NC(COc2c(C)cccc2C)=O)ccc1)=O

InChI

InChI=1S/C21H25NO4/c1-4-5-12-25-21(24)17-10-7-11-18(13-17)22-19(23)14-26-20-15(2)8-6-9-16(20)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)

InChI Key

MYNNSPCUPXAKNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.37

Polar Surface Area

51.836

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2712-4494 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 2712-4494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4494?
Check Price and Availability of 2712-4494, 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 2712-4494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4494
  • 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 2712-4494 available by request