3648-2781 Screening compound: 1,3-dimethyl 5-(3-ethoxybenzamido)benzene-1,3-dicarboxylate

3648-2781 Screening compound: 1,3-dimethyl 5-(3-ethoxybenzamido)benzene-1,3-dicarboxylate
3648-2781 Screening compound: 1,3-dimethyl 5-(3-ethoxybenzamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3648-2781
1,3-dimethyl 5-(3-ethoxybenzamido)benzene-1,3-dicarboxylate

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

3648-2781

Molecular Formula

C19H19NO6 (C19 H19 NO6)

Compound Name

1,3-dimethyl 5-(3-ethoxybenzamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(3-ethoxybenzamido)benzene-13-dicarboxylate

SMILES

CCOc1cccc(C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c1

InChI

InChI=1S/C19H19NO6/c1-4-26-16-7-5-6-12(11-16)17(21)20-15-9-13(18(22)24-2)8-14(10-15)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21)

InChI Key

FTHKLWJNIPMXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.11

Polar Surface Area

72.801

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3648-2781 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3648-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3648-2781?
Check Price and Availability of 3648-2781, 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 3648-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3648-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3648-2781
  • 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 3648-2781 available by request