C612-0308 Screening compound: 4-{[(furan-2-yl)methyl]carbamoyl}benzene-1,3-dicarboxylic acid

C612-0308 Screening compound: 4-{[(furan-2-yl)methyl]carbamoyl}benzene-1,3-dicarboxylic acid
C612-0308 Screening compound: 4-{[(furan-2-yl)methyl]carbamoyl}benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0308
4-{[(furan-2-yl)methyl]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

C612-0308

Molecular Formula

C14H11NO6 (C14 H11 NO6)

Compound Name

4-{[(furan-2-yl)methyl]carbamoyl}benzene-1,3-dicarboxylic acid

IUPAC name

4-{[(furan-2-yl)methyl]carbamoyl}benzene-13-dicarboxylic acid

SMILES

OC(c(cc1)cc(C(O)=O)c1C(NCc1ccco1)=O)=O

InChI

InChI=1S/C14H11NO6/c16-12(15-7-9-2-1-5-21-9)10-4-3-8(13(17)18)6-11(10)14(19)20/h1-6H,7H2,(H,15,16)(H,17,18)(H,19,20)

InChI Key

MMQGEFFHHHXKNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

-2.052

Water Solubility, LogSw

-2.87

Polar Surface Area

89.217

Acid Dissociation Constant (pKa)

2.89

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C612-0308 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C612-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0308?
Check Price and Availability of C612-0308, 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 C612-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0308
  • 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 C612-0308 available by request