6408-0438 Screening compound: 2-({[2-(benzyloxy)-5-bromophenyl]methyl}amino)-2-methylpropan-1-ol

6408-0438 Screening compound: 2-({[2-(benzyloxy)-5-bromophenyl]methyl}amino)-2-methylpropan-1-ol
6408-0438 Screening compound: 2-({[2-(benzyloxy)-5-bromophenyl]methyl}amino)-2-methylpropan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0438
2-({[2-(benzyloxy)-5-bromophenyl]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

6408-0438

Molecular Formula

C18H22BrNO2 (C18 H22 BrNO2)

Compound Name

2-({[2-(benzyloxy)-5-bromophenyl]methyl}amino)-2-methylpropan-1-ol

IUPAC name

2-({[2-(benzyloxy)-5-bromophenyl]methyl}amino)-2-methylpropan-1-ol

SMILES

CC(C)(CO)NCc(cc(cc1)Br)c1OCc1ccccc1

InChI

InChI=1S/C18H22BrNO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3

InChI Key

RJAPAJNDQQTHRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04326379

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

364.28

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

3.971

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-4.19

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

6408-0438 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6408-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0438?
Check Price and Availability of 6408-0438, 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 6408-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0438
  • 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 6408-0438 available by request