V008-9927 Screening compound: 3-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

V008-9927 Screening compound: 3-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
V008-9927 Screening compound: 3-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9927
3-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-(4-methylpiperidin-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

V008-9927

Molecular Formula

C24H27ClN2O (C24 H27 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(CC(c1cn(C)c2c1cccc2)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H27ClN2O/c1-17-11-13-27(14-12-17)24(28)15-21(18-7-9-19(25)10-8-18)22-16-26(2)23-6-4-3-5-20(22)23/h3-10,16-17,21H,11-15H2,1-2H3/t21-/m1/s1

InChI Key

JNWGELCLHIRRPU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19852096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-5.80

Polar Surface Area

18.647

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V008-9927 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V008-9927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9927?
Check Price and Availability of V008-9927, 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 V008-9927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9927
  • 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 V008-9927 available by request