D665-0412 Screening compound: {[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

D665-0412 Screening compound: {[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine
D665-0412 Screening compound: {[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0412
{[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

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

D665-0412

Molecular Formula

C16H18BrNO2 (C16 H18 BrNO2)

Compound Name

{[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

IUPAC name

{[5-(4-bromophenyl)furan-2-yl]methyl}[(oxolan-2-yl)methyl]amine

SMILES

Brc(cc1)ccc1-c1ccc(CNCC2OCCC2)o1

InChI

InChI=1S/C16H18BrNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h3-8,14,18H,1-2,9-11H2/t14-/m1/s1

InChI Key

MHLOCMXDPZKWBC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07411527

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

336.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.97

Polar Surface Area

28.228

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D665-0412 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D665-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0412?
Check Price and Availability of D665-0412, 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 D665-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0412
  • 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 D665-0412 available by request