V031-1208 Screening compound: 1-(4-chlorophenoxy)-3-{cyclopropyl[(3,5-dimethoxyphenyl)methyl]amino}propan-2-ol

V031-1208 Screening compound: 1-(4-chlorophenoxy)-3-{cyclopropyl[(3,5-dimethoxyphenyl)methyl]amino}propan-2-ol
V031-1208 Screening compound: 1-(4-chlorophenoxy)-3-{cyclopropyl[(3,5-dimethoxyphenyl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1208
1-(4-chlorophenoxy)-3-{cyclopropyl[(3,5-dimethoxyphenyl)methyl]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

V031-1208

Molecular Formula

C21H26ClNO4 (C21 H26 ClNO4)

Compound Name

1-(4-chlorophenoxy)-3-{cyclopropyl[(3,5-dimethoxyphenyl)methyl]amino}propan-2-ol

IUPAC name

1-(4-chlorophenoxy)-3-{cyclopropyl[(35-dimethoxyphenyl)methyl]amino}propan-2-ol

SMILES

COc1cc(CN(CC(COc(cc2)ccc2Cl)O)C2CC2)cc(OC)c1

InChI

InChI=1S/C21H26ClNO4/c1-25-20-9-15(10-21(11-20)26-2)12-23(17-5-6-17)13-18(24)14-27-19-7-3-16(22)4-8-19/h3-4,7-11,17-18,24H,5-6,12-14H2,1-2H3/t18-/m0/s1

InChI Key

JYMYOHTUSGNTAV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19836542

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-4.43

Polar Surface Area

42.352

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V031-1208 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 V031-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1208?
Check Price and Availability of V031-1208, 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 V031-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1208
  • 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 V031-1208 available by request