V012-3662 Screening compound: 3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazino)-1-propanone

V012-3662 Screening compound: 3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazino)-1-propanone
V012-3662 Screening compound: 3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3662
3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazino)-1-propanone

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

V012-3662

Molecular Formula

C25H30ClN3O (C25 H30 ClN3 O)

Compound Name

3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazino)-1-propanone

IUPAC name

3-(3-chlorophenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

SMILES

CCn1c(cccc2)c2c(C(CC(N2CCN(CC)CC2)=O)c2cccc(Cl)c2)c1

InChI

InChI=1S/C25H30ClN3O/c1-3-27-12-14-29(15-13-27)25(30)17-22(19-8-7-9-20(26)16-19)23-18-28(4-2)24-11-6-5-10-21(23)24/h5-11,16,18,22H,3-4,12-15,17H2,1-2H3/t22-/m1/s1

InChI Key

JRBVRDSKYCBFRJ-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.42

Polar Surface Area

21.353

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V012-3662 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V012-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3662?
Check Price and Availability of V012-3662, 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 V012-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3662
  • 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 V012-3662 available by request