V013-8052 Screening compound: 1-(4-{2-(4-chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}piperazino)-2-phenyl-1-ethanone

V013-8052 Screening compound: 1-(4-{2-(4-chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}piperazino)-2-phenyl-1-ethanone
V013-8052 Screening compound: 1-(4-{2-(4-chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}piperazino)-2-phenyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8052
1-(4-{2-(4-chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}piperazino)-2-phenyl-1-ethanone

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

V013-8052

Molecular Formula

C28H31ClN2O2 (C28 H31 ClN2 O2)

Compound Name

1-(4-{2-(4-chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}piperazino)-2-phenyl-1-ethanone

IUPAC name

1-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl}-2-phenylethan-1-one

SMILES

Cc1cccc(COC(CN(CC2)CCN2C(Cc2ccccc2)=O)c(cc2)ccc2Cl)c1

InChI

InChI=1S/C28H31ClN2O2/c1-22-6-5-9-24(18-22)21-33-27(25-10-12-26(29)13-11-25)20-30-14-16-31(17-15-30)28(32)19-23-7-3-2-4-8-23/h2-13,18,27H,14-17,19-21H2,1H3/t27-/m0/s1

InChI Key

MOKPEQAGBVYCGH-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.408

Water Solubility, LogSw

-6.11

Polar Surface Area

26.780

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with V013-8052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8052?
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What is the minimum amount of V013-8052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8052
  • 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 V013-8052 available by request