8008-4201 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]benzoic acid

8008-4201 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]benzoic acid
8008-4201 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4201
3-[2-(3,4-dimethoxyphenyl)acetamido]benzoic 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

8008-4201

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

3-[2-(3,4-dimethoxyphenyl)acetamido]benzoic acid

IUPAC name

3-[2-(34-dimethoxyphenyl)acetamido]benzoic acid

SMILES

COc(ccc(CC(Nc1cccc(C(O)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C17H17NO5/c1-22-14-7-6-11(8-15(14)23-2)9-16(19)18-13-5-3-4-12(10-13)17(20)21/h3-8,10H,9H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

RXUXFIUODVTDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01003826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

-0.234

Water Solubility, LogSw

-2.96

Polar Surface Area

66.785

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8008-4201 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-4201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4201?
Check Price and Availability of 8008-4201, 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 8008-4201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4201
  • 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 8008-4201 available by request