3347-5421 Screening compound: 4-[(4-ethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

3347-5421 Screening compound: 4-[(4-ethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
3347-5421 Screening compound: 4-[(4-ethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-5421
4-[(4-ethoxyphenyl)carbamoyl]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

3347-5421

Molecular Formula

C17H15NO6 (C17 H15 NO6)

Compound Name

4-[(4-ethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

IUPAC name

4-[(4-ethoxyphenyl)carbamoyl]benzene-13-dicarboxylic acid

SMILES

CCOc(cc1)ccc1NC(c(ccc(C(O)=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C17H15NO6/c1-2-24-12-6-4-11(5-7-12)18-15(19)13-8-3-10(16(20)21)9-14(13)17(22)23/h3-9H,2H2,1H3,(H,18,19)(H,20,21)(H,22,23)

InChI Key

UUKCVANVAVSWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

-1.811

Water Solubility, LogSw

-3.50

Polar Surface Area

87.270

Acid Dissociation Constant (pKa)

2.48

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3347-5421 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3347-5421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-5421?
Check Price and Availability of 3347-5421, 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 3347-5421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-5421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-5421
  • 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 3347-5421 available by request