V005-9894 Screening compound: 1-(4-chlorophenoxy)-3-{[(2,4-difluorophenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol

V005-9894 Screening compound: 1-(4-chlorophenoxy)-3-{[(2,4-difluorophenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol
V005-9894 Screening compound: 1-(4-chlorophenoxy)-3-{[(2,4-difluorophenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9894
1-(4-chlorophenoxy)-3-{[(2,4-difluorophenyl)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

V005-9894

Molecular Formula

C23H21ClF3NO2 (C23 H21 ClF3 NO2)

Compound Name

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

IUPAC name

1-(4-chlorophenoxy)-3-{[(24-difluorophenyl)methyl][(4-fluorophenyl)methyl]amino}propan-2-ol

SMILES

OC(CN(Cc(cc1)ccc1F)Cc(ccc(F)c1)c1F)COc(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClF3NO2/c24-18-4-9-22(10-5-18)30-15-21(29)14-28(12-16-1-6-19(25)7-2-16)13-17-3-8-20(26)11-23(17)27/h1-11,21,29H,12-15H2/t21-/m0/s1

InChI Key

ONKHKPJGCOUISI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14262867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.589

Water Solubility, LogSw

-5.87

Polar Surface Area

27.797

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

V005-9894 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V005-9894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9894?
Check Price and Availability of V005-9894, 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 V005-9894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9894
  • 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 V005-9894 available by request