V012-5986 Screening compound: 1-{cyclopropyl[(2,4-dimethylphenyl)methyl]amino}-3-phenoxypropan-2-ol

V012-5986 Screening compound: 1-{cyclopropyl[(2,4-dimethylphenyl)methyl]amino}-3-phenoxypropan-2-ol
V012-5986 Screening compound: 1-{cyclopropyl[(2,4-dimethylphenyl)methyl]amino}-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5986
1-{cyclopropyl[(2,4-dimethylphenyl)methyl]amino}-3-phenoxypropan-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

V012-5986

Molecular Formula

C21H27NO2 (C21 H27 NO2)

Compound Name

1-{cyclopropyl[(2,4-dimethylphenyl)methyl]amino}-3-phenoxypropan-2-ol

IUPAC name

1-{cyclopropyl[(24-dimethylphenyl)methyl]amino}-3-phenoxypropan-2-ol

SMILES

Cc1cc(C)c(CN(CC(COc2ccccc2)O)C2CC2)cc1

InChI

InChI=1S/C21H27NO2/c1-16-8-9-18(17(2)12-16)13-22(19-10-11-19)14-20(23)15-24-21-6-4-3-5-7-21/h3-9,12,19-20,23H,10-11,13-15H2,1-2H3

InChI Key

IXKVFYLLLAFLSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459098

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

325.45

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

4.721

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.45

Polar Surface Area

27.265

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V012-5986 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-5986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5986?
Check Price and Availability of V012-5986, 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 V012-5986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5986
  • 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 V012-5986 available by request