V008-6242 Screening compound: 3-[1-(2,5-dichloropyridine-3-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole

V008-6242 Screening compound: 3-[1-(2,5-dichloropyridine-3-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole
V008-6242 Screening compound: 3-[1-(2,5-dichloropyridine-3-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6242
3-[1-(2,5-dichloropyridine-3-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole

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

V008-6242

Molecular Formula

C24H27Cl2N3O (C24 H27 Cl2 N3 O)

Compound Name

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

IUPAC name

3-[1-(25-dichloropyridine-3-carbonyl)piperidin-4-yl]-1-pentyl-1H-indole

SMILES

CCCCCn1c(cccc2)c2c(C(CC2)CCN2C(c2cc(Cl)cnc2Cl)=O)c1

InChI

InChI=1S/C24H27Cl2N3O/c1-2-3-6-11-29-16-21(19-7-4-5-8-22(19)29)17-9-12-28(13-10-17)24(30)20-14-18(25)15-27-23(20)26/h4-5,7-8,14-17H,2-3,6,9-13H2,1H3

InChI Key

PDHQDDNVHDXQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952211

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.4

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

5.899

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.91

Polar Surface Area

28.372

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V008-6242 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-6242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6242?
Check Price and Availability of V008-6242, 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 V008-6242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6242
  • 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 V008-6242 available by request