V002-9165 Screening compound: 3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indole

V002-9165 Screening compound: 3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indole
V002-9165 Screening compound: 3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9165
3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-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

V002-9165

Molecular Formula

C26H23ClFN3O (C26 H23 ClFN3 O)

Compound Name

3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indole

IUPAC name

3-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indole

SMILES

O=C(c(cc1)cnc1Cl)N(CC1)CCC1c1cn(Cc2cc(F)ccc2)c2c1cccc2

InChI

InChI=1S/C26H23ClFN3O/c27-25-9-8-20(15-29-25)26(32)30-12-10-19(11-13-30)23-17-31(24-7-2-1-6-22(23)24)16-18-4-3-5-21(28)14-18/h1-9,14-15,17,19H,10-13,16H2

InChI Key

SGYKFYLCFWJZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952155

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-5.13

Polar Surface Area

27.352

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V002-9165 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V002-9165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9165?
Check Price and Availability of V002-9165, 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 V002-9165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9165
  • 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 V002-9165 available by request