V006-5049 Screening compound: 3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

V006-5049 Screening compound: 3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
V006-5049 Screening compound: 3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5049
3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]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

V006-5049

Molecular Formula

C35H39F3N2O2 (C35 H39 F3 N2 O2)

Compound Name

3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

IUPAC name

3-{1-[4-(heptyloxy)benzoyl]piperidin-4-yl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

SMILES

CCCCCCCOc(cc1)ccc1C(N(CC1)CCC1c1cn(Cc2ccc(C(F)(F)F)cc2)c2c1cccc2)=O

InChI

InChI=1S/C35H39F3N2O2/c1-2-3-4-5-8-23-42-30-17-13-28(14-18-30)34(41)39-21-19-27(20-22-39)32-25-40(33-10-7-6-9-31(32)33)24-26-11-15-29(16-12-26)35(36,37)38/h6-7,9-18,25,27H,2-5,8,19-24H2,1H3

InChI Key

RWSUZUVQOGCPOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.911

Distribution Coefficient, logD

8.911

Water Solubility, LogSw

-6.01

Polar Surface Area

25.765

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V006-5049 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5049?
Check Price and Availability of V006-5049, 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 V006-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5049
  • 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 V006-5049 available by request