5826-0112 Screening compound: 5-[4-(propanoyloxy)benzamido]benzene-1,3-dicarboxylic acid

5826-0112 Screening compound: 5-[4-(propanoyloxy)benzamido]benzene-1,3-dicarboxylic acid
5826-0112 Screening compound: 5-[4-(propanoyloxy)benzamido]benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5826-0112
5-[4-(propanoyloxy)benzamido]benzene-1,3-dicarboxylic 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

5826-0112

Molecular Formula

C18H15NO7 (C18 H15 NO7)

Compound Name

5-[4-(propanoyloxy)benzamido]benzene-1,3-dicarboxylic acid

IUPAC name

5-[4-(propanoyloxy)benzamido]benzene-13-dicarboxylic acid

SMILES

CCC(Oc(cc1)ccc1C(Nc1cc(C(O)=O)cc(C(O)=O)c1)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

0.007

Water Solubility, LogSw

-3.55

Polar Surface Area

100.200

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5826-0112 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5826-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5826-0112?
Check Price and Availability of 5826-0112, 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 5826-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5826-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5826-0112
  • 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 5826-0112 available by request