D089-0303 Screening compound: methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate

D089-0303 Screening compound: methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
D089-0303 Screening compound: methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0303
methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-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

D089-0303

Molecular Formula

C18H23NO4 (C18 H23 NO4)

Compound Name

methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate

SMILES

CC1CN(Cc2c3c(C(OC)=O)c(C)oc3ccc2O)CCC1

InChI

InChI=1S/C18H23NO4/c1-11-5-4-8-19(9-11)10-13-14(20)6-7-15-17(13)16(12(2)23-15)18(21)22-3/h6-7,11,20H,4-5,8-10H2,1-3H3/t11-/m0/s1

InChI Key

VFMWMPLQLSVWSN-NSHDSACASA-N

MDL Number (MFCD)

MFCD08143169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-3.41

Polar Surface Area

49.574

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D089-0303 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D089-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0303?
Check Price and Availability of D089-0303, 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 D089-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0303
  • 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 D089-0303 available by request