V031-2340 Screening compound: 1-(4-chlorophenoxy)-3-{[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol

V031-2340 Screening compound: 1-(4-chlorophenoxy)-3-{[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol
V031-2340 Screening compound: 1-(4-chlorophenoxy)-3-{[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2340
1-(4-chlorophenoxy)-3-{[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)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

V031-2340

Molecular Formula

C25H27ClFNO4 (C25 H27 ClFNO4)

Compound Name

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

IUPAC name

1-(4-chlorophenoxy)-3-{[(34-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol

SMILES

COc(ccc(CN(CC(COc(cc1)ccc1Cl)O)Cc(cc1)ccc1F)c1)c1OC

InChI

InChI=1S/C25H27ClFNO4/c1-30-24-12-5-19(13-25(24)31-2)15-28(14-18-3-8-21(27)9-4-18)16-22(29)17-32-23-10-6-20(26)7-11-23/h3-13,22,29H,14-17H2,1-2H3/t22-/m0/s1

InChI Key

YVBNSINDDSRMFD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19839184

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.62

Polar Surface Area

43.058

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

V031-2340 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V031-2340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2340?
Check Price and Availability of V031-2340, 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 V031-2340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2340
  • 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 V031-2340 available by request