V013-7477 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(2-phenylcyclopropanecarbonyl)piperazine

V013-7477 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(2-phenylcyclopropanecarbonyl)piperazine
V013-7477 Screening compound: 1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(2-phenylcyclopropanecarbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7477
1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(2-phenylcyclopropanecarbonyl)piperazine

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

V013-7477

Molecular Formula

C30H33ClN2O3 (C30 H33 ClN2 O3)

Compound Name

1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-(2-phenylcyclopropanecarbonyl)piperazine

IUPAC name

1-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-4-[(2R)-2-phenylcyclopropanecarbonyl]piperazine

SMILES

COc1cccc(C(CN(CC2)CCN2C(C(C2)C2c2ccccc2)=O)OCc2cccc(Cl)c2)c1

InChI

InChI=1S/C30H33ClN2O3/c1-35-26-12-6-10-24(18-26)29(36-21-22-7-5-11-25(31)17-22)20-32-13-15-33(16-14-32)30(34)28-19-27(28)23-8-3-2-4-9-23/h2-12,17-18,27-29H,13-16,19-21H2,1H3/t27-,28?,29?/m0/s1

InChI Key

PUQIVDLVGQRAFA-VSPYUBNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.531

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.95

Polar Surface Area

35.103

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.70

V013-7477 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V013-7477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7477?
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What is the minimum amount of V013-7477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7477
  • 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 V013-7477 available by request