V002-2061 Screening compound: 1-{benzyl[(oxolan-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

V002-2061 Screening compound: 1-{benzyl[(oxolan-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
V002-2061 Screening compound: 1-{benzyl[(oxolan-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2061
1-{benzyl[(oxolan-2-yl)methyl]amino}-3-(2-methylphenoxy)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

V002-2061

Molecular Formula

C22H29NO3 (C22 H29 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(CN(CC1OCCC1)Cc1ccccc1)O

InChI

InChI=1S/C22H29NO3/c1-18-8-5-6-12-22(18)26-17-20(24)15-23(16-21-11-7-13-25-21)14-19-9-3-2-4-10-19/h2-6,8-10,12,20-21,24H,7,11,13-17H2,1H3

InChI Key

UZOQXQJVKDYUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10481005

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-3.97

Polar Surface Area

36.538

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

V002-2061 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V002-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2061?
Check Price and Availability of V002-2061, 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 V002-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2061
  • 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 V002-2061 available by request