Y501-6456 Screening compound: methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate

Y501-6456 Screening compound: methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate
Y501-6456 Screening compound: methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-6456
methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate

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

Y501-6456

Molecular Formula

C16H18O4 (C16 H18 O4)

Compound Name

methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate

IUPAC name

methyl 5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carboxylate

SMILES

CC(C)c(cc1)ccc1OCc1ccc(C(OC)=O)o1

InChI

InChI=1S/C16H18O4/c1-11(2)12-4-6-13(7-5-12)19-10-14-8-9-15(20-14)16(17)18-3/h4-9,11H,10H2,1-3H3

InChI Key

LKHFCXQFUNMHMM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.29

Polar Surface Area

36.481

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with Y501-6456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-6456?
Check Price and Availability of Y501-6456, 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 Y501-6456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-6456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-6456
  • 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 Y501-6456 available by request