V028-4554 Screening compound: 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)propan-1-one

V028-4554 Screening compound: 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)propan-1-one
V028-4554 Screening compound: 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4554
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)propan-1-one

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

V028-4554

Molecular Formula

C22H23ClN2O (C22 H23 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c(cc1)ccc1Cl)N1CCCCC1

InChI

InChI=1S/C22H23ClN2O/c23-17-10-8-16(9-11-17)19(14-22(26)25-12-4-1-5-13-25)20-15-24-21-7-3-2-6-18(20)21/h2-3,6-11,15,19,24H,1,4-5,12-14H2/t19-/m1/s1

InChI Key

MNHDHOZKMDPNME-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19850727

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

366.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-5.18

Polar Surface Area

25.959

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

V028-4554 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 V028-4554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4554?
Check Price and Availability of V028-4554, 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 V028-4554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4554
  • 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 V028-4554 available by request