6228-0702 Screening compound: methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate

6228-0702 Screening compound: methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate
6228-0702 Screening compound: methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0702
methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate

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

6228-0702

Molecular Formula

C17H20O6 (C17 H20 O6)

Compound Name

methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate

IUPAC name

methyl 5-{[4-(1-hydroxypropyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate

SMILES

CCC(c(cc1)cc(OC)c1OCc1ccc(C(OC)=O)o1)O

InChI

InChI=1S/C17H20O6/c1-4-13(18)11-5-7-14(16(9-11)20-2)22-10-12-6-8-15(23-12)17(19)21-3/h5-9,13,18H,4,10H2,1-3H3/t13-/m0/s1

InChI Key

CCICKJGQVXIURA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03312845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.68

Polar Surface Area

60.350

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

6228-0702 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0702?
Check Price and Availability of 6228-0702, 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 6228-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0702
  • 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 6228-0702 available by request