2279-0299 Screening compound: methyl 3-[2-(2-tert-butylphenoxy)acetamido]benzoate

2279-0299 Screening compound: methyl 3-[2-(2-tert-butylphenoxy)acetamido]benzoate
2279-0299 Screening compound: methyl 3-[2-(2-tert-butylphenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-0299
methyl 3-[2-(2-tert-butylphenoxy)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

2279-0299

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

methyl 3-[2-(2-tert-butylphenoxy)acetamido]benzoate

IUPAC name

methyl 3-[2-(2-tert-butylphenoxy)acetamido]benzoate

SMILES

CC(C)(C)c(cccc1)c1OCC(Nc1cccc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H23NO4/c1-20(2,3)16-10-5-6-11-17(16)25-13-18(22)21-15-9-7-8-14(12-15)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)

InChI Key

SGERNRJDNWEXCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180566

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

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.60

Polar Surface Area

51.876

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2279-0299 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2279-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-0299?
Check Price and Availability of 2279-0299, 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 2279-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-0299
  • 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 2279-0299 available by request