V002-9120 Screening compound: 1,3-benzodioxol-5-yl[4-(1-pentyl-1H-indol-3-yl)piperidino]methanone

V002-9120 Screening compound: 1,3-benzodioxol-5-yl[4-(1-pentyl-1H-indol-3-yl)piperidino]methanone
V002-9120 Screening compound: 1,3-benzodioxol-5-yl[4-(1-pentyl-1H-indol-3-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9120
1,3-benzodioxol-5-yl[4-(1-pentyl-1H-indol-3-yl)piperidino]methanone

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

V002-9120

Molecular Formula

C26H30N2O3 (C26 H30 N2 O3)

Compound Name

1,3-benzodioxol-5-yl[4-(1-pentyl-1H-indol-3-yl)piperidino]methanone

IUPAC name

3-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole

SMILES

CCCCCn1c(cccc2)c2c(C(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C26H30N2O3/c1-2-3-6-13-28-17-22(21-7-4-5-8-23(21)28)19-11-14-27(15-12-19)26(29)20-9-10-24-25(16-20)31-18-30-24/h4-5,7-10,16-17,19H,2-3,6,11-15,18H2,1H3

InChI Key

GZMFOJSHFYTGCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.51

Polar Surface Area

35.713

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

V002-9120 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 V002-9120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9120?
Check Price and Availability of V002-9120, 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 V002-9120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9120
  • 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 V002-9120 available by request