6408-0417 Screening compound: 2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol

6408-0417 Screening compound: 2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol
6408-0417 Screening compound: 2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0417
2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol

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

6408-0417

Molecular Formula

C18H22ClNO2 (C18 H22 ClNO2)

Compound Name

2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol

IUPAC name

2-[({2-[(4-chlorophenyl)methoxy]phenyl}methyl)amino]-2-methylpropan-1-ol

SMILES

CC(C)(CO)NCc(cccc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C18H22ClNO2/c1-18(2,13-21)20-11-15-5-3-4-6-17(15)22-12-14-7-9-16(19)10-8-14/h3-10,20-21H,11-13H2,1-2H3

InChI Key

JJZARGKWFQJFEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090252

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

319.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-4.12

Polar Surface Area

35.787

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6408-0417 in Drug Discovery

Included in Screening Libraries

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 6408-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0417?
Check Price and Availability of 6408-0417, 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 6408-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0417
  • 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 6408-0417 available by request