8015-3788 Screening compound: 2-methyl-1-[3-piperidino-1-benzofuran-2(3H)-yliden]-2-butanol

8015-3788 Screening compound: 2-methyl-1-[3-piperidino-1-benzofuran-2(3H)-yliden]-2-butanol
8015-3788 Screening compound: 2-methyl-1-[3-piperidino-1-benzofuran-2(3H)-yliden]-2-butanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3788
2-methyl-1-[3-piperidino-1-benzofuran-2(3H)-yliden]-2-butanol

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

8015-3788

Molecular Formula

C18H25NO2 (C18 H25 NO2)

Compound Name

2-methyl-1-[3-piperidino-1-benzofuran-2(3H)-yliden]-2-butanol

IUPAC name

2-methyl-1-[(2E)-3-(piperidin-1-yl)-23-dihydro-1-benzofuran-2-ylidene]butan-2-ol

SMILES

CCC(C)(/C=C(\C1N2CCCCC2)/Oc2c1cccc2)O

InChI

InChI=1S/C18H25NO2/c1-3-18(2,20)13-16-17(19-11-7-4-8-12-19)14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3

InChI Key

CAERQMOSJKWWFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

2.275

Water Solubility, LogSw

-3.60

Polar Surface Area

26.841

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

8015-3788 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-3788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3788?
Check Price and Availability of 8015-3788, 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 8015-3788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3788
  • 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 8015-3788 available by request