V008-0563 Screening compound: 1-(2-methylphenoxy)-3-{[(3-methylphenyl)methyl](propan-2-yl)amino}propan-2-ol

V008-0563 Screening compound: 1-(2-methylphenoxy)-3-{[(3-methylphenyl)methyl](propan-2-yl)amino}propan-2-ol
V008-0563 Screening compound: 1-(2-methylphenoxy)-3-{[(3-methylphenyl)methyl](propan-2-yl)amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0563
1-(2-methylphenoxy)-3-{[(3-methylphenyl)methyl](propan-2-yl)amino}propan-2-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

V008-0563

Molecular Formula

C21H29NO2 (C21 H29 NO2)

Compound Name

1-(2-methylphenoxy)-3-{[(3-methylphenyl)methyl](propan-2-yl)amino}propan-2-ol

IUPAC name

n/a

SMILES

CC(C)N(CC(COc1c(C)cccc1)O)Cc1cc(C)ccc1

InChI

InChI=1S/C21H29NO2/c1-16(2)22(13-19-10-7-8-17(3)12-19)14-20(23)15-24-21-11-6-5-9-18(21)4/h5-12,16,20,23H,13-15H2,1-4H3/t20-/m0/s1

InChI Key

QPYZXIMXQWXHFD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10459092

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.75

Polar Surface Area

27.791

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V008-0563 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V008-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0563?
Check Price and Availability of V008-0563, 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 V008-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0563
  • 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 V008-0563 available by request