V012-5088 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1H-indole

V012-5088 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1H-indole
V012-5088 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5088
1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-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

V012-5088

Molecular Formula

C31H42N2O3 (C31 H42 N2 O3)

Compound Name

1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1H-indole

IUPAC name

1-(2-ethoxyethyl)-3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1H-indole

SMILES

CCCCCCCOc(cc1)ccc1C(N(CC1)CCC1c1cn(CCOCC)c2c1cccc2)=O

InChI

InChI=1S/C31H42N2O3/c1-3-5-6-7-10-22-36-27-15-13-26(14-16-27)31(34)32-19-17-25(18-20-32)29-24-33(21-23-35-4-2)30-12-9-8-11-28(29)30/h8-9,11-16,24-25H,3-7,10,17-23H2,1-2H3

InChI Key

LFJZZDMOHPNCRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.835

Distribution Coefficient, logD

6.835

Water Solubility, LogSw

-5.88

Polar Surface Area

33.992

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.60

V012-5088 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 V012-5088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5088?
Check Price and Availability of V012-5088, 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 V012-5088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5088
  • 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 V012-5088 available by request