Y501-6124 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-2-furoic acid

Y501-6124 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-2-furoic acid
Y501-6124 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-2-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-6124
5-[(3,4-dimethylphenoxy)methyl]-2-furoic 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

Y501-6124

Molecular Formula

C14H14O4 (C14 H14 O4)

Compound Name

5-[(3,4-dimethylphenoxy)methyl]-2-furoic acid

IUPAC name

5-[(34-dimethylphenoxy)methyl]furan-2-carboxylic acid

SMILES

Cc(cc1)c(C)cc1OCc1ccc(C(O)=O)o1

InChI

InChI=1S/C14H14O4/c1-9-3-4-11(7-10(9)2)17-8-12-5-6-13(18-12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)

InChI Key

LLEWJDBXUXGLSS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

-0.684

Water Solubility, LogSw

-2.92

Polar Surface Area

43.715

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y501-6124 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-6124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-6124?
Check Price and Availability of Y501-6124, 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 Y501-6124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-6124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-6124
  • 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 Y501-6124 available by request