8013-2013 Screening compound: 4,5-dimethoxy-2-(4-propanamidobenzamido)benzoic acid

8013-2013 Screening compound: 4,5-dimethoxy-2-(4-propanamidobenzamido)benzoic acid
8013-2013 Screening compound: 4,5-dimethoxy-2-(4-propanamidobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2013
4,5-dimethoxy-2-(4-propanamidobenzamido)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

8013-2013

Molecular Formula

C19H20N2O6 (C19 H20 N2 O6)

Compound Name

4,5-dimethoxy-2-(4-propanamidobenzamido)benzoic acid

IUPAC name

45-dimethoxy-2-(4-propanamidobenzamido)benzoic acid

SMILES

CCC(Nc(cc1)ccc1C(Nc(cc(c(OC)c1)OC)c1C(O)=O)=O)=O

InChI

InChI=1S/C19H20N2O6/c1-4-17(22)20-12-7-5-11(6-8-12)18(23)21-14-10-16(27-3)15(26-2)9-13(14)19(24)25/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)

InChI Key

OPMIGBHNNMRZKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.072

Distribution Coefficient, logD

-1.408

Water Solubility, LogSw

-2.86

Polar Surface Area

89.450

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8013-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2013?
Check Price and Availability of 8013-2013, 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 8013-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2013
  • 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 8013-2013 available by request