V013-6850 Screening compound: 1-{CYCLOPROPYL[(2,4-DIMETHYLPHENYL)METHYL]AMINO}-3-(4-METHOXYPHENOXY)PROPAN-2-OL

V013-6850 Screening compound: 1-{CYCLOPROPYL[(2,4-DIMETHYLPHENYL)METHYL]AMINO}-3-(4-METHOXYPHENOXY)PROPAN-2-OL
V013-6850 Screening compound: 1-{CYCLOPROPYL[(2,4-DIMETHYLPHENYL)METHYL]AMINO}-3-(4-METHOXYPHENOXY)PROPAN-2-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6850
1-{CYCLOPROPYL[(2,4-DIMETHYLPHENYL)METHYL]AMINO}-3-(4-METHOXYPHENOXY)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

V013-6850

Molecular Formula

C22H29NO3 (C22 H29 NO3)

Compound Name

1-{CYCLOPROPYL[(2,4-DIMETHYLPHENYL)METHYL]AMINO}-3-(4-METHOXYPHENOXY)PROPAN-2-OL

IUPAC name

n/a

SMILES

Cc1cc(C)c(CN(CC(COc(cc2)ccc2OC)O)C2CC2)cc1

InChI

InChI=1S/C22H29NO3/c1-16-4-5-18(17(2)12-16)13-23(19-6-7-19)14-20(24)15-26-22-10-8-21(25-3)9-11-22/h4-5,8-12,19-20,24H,6-7,13-15H2,1-3H3/t20-/m0/s1

InChI Key

OCLIQBGMQHKJIJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10459099

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

4.732

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.45

Polar Surface Area

34.809

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V013-6850 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V013-6850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6850?
Check Price and Availability of V013-6850, 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 V013-6850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6850
  • 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 V013-6850 available by request