6146-0586 Screening compound: 2,2-diethyl 3-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-2,2-dicarboxylate

6146-0586 Screening compound: 2,2-diethyl 3-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-2,2-dicarboxylate
6146-0586 Screening compound: 2,2-diethyl 3-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-2,2-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6146-0586
2,2-diethyl 3-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-2,2-dicarboxylate

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

6146-0586

Molecular Formula

C15H18O7 (C15 H18 O7)

Compound Name

2,2-diethyl 3-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-2,2-dicarboxylate

IUPAC name

22-diethyl 3-hydroxy-7-methoxy-23-dihydro-1-benzofuran-22-dicarboxylate

SMILES

CCOC(C(C1O)(C(OCC)=O)Oc2c1cccc2OC)=O

InChI

InChI=1S/C15H18O7/c1-4-20-13(17)15(14(18)21-5-2)12(16)9-7-6-8-10(19-3)11(9)22-15/h6-8,12,16H,4-5H2,1-3H3/t12-/m1/s1

InChI Key

UTEBKOHNXIQNFD-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04086053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.11

Polar Surface Area

71.789

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

6146-0586 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6146-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6146-0586?
Check Price and Availability of 6146-0586, 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 6146-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6146-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6146-0586
  • 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 6146-0586 available by request