V005-9044 Screening compound: methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate

V005-9044 Screening compound: methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate
V005-9044 Screening compound: methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9044
methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate

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

V005-9044

Molecular Formula

C27H40N2O3 (C27 H40 N2 O3)

Compound Name

methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate

IUPAC name

methyl 8-oxo-8-[4-(1-pentyl-1H-indol-3-yl)piperidin-1-yl]octanoate

SMILES

CCCCCn1c(cccc2)c2c(C(CC2)CCN2C(CCCCCCC(OC)=O)=O)c1

InChI

InChI=1S/C27H40N2O3/c1-3-4-11-18-29-21-24(23-12-9-10-13-25(23)29)22-16-19-28(20-17-22)26(30)14-7-5-6-8-15-27(31)32-2/h9-10,12-13,21-22H,3-8,11,14-20H2,1-2H3

InChI Key

SXYMVFVCMBFXPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.39

Polar Surface Area

38.920

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.00

V005-9044 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-9044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9044?
Check Price and Availability of V005-9044, 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 V005-9044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9044
  • 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 V005-9044 available by request