V005-5459 Screening compound: N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide

V005-5459 Screening compound: N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide
V005-5459 Screening compound: N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5459
N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide

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

V005-5459

Molecular Formula

C29H39N3O2 (C29 H39 N3 O2)

Compound Name

N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide

IUPAC name

N-({[2-(1H-indol-3-yl)ethyl][(4-methylphenyl)methyl]carbamoyl}methyl)-N-propylhexanamide

SMILES

CCCCCC(N(CCC)CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C29H39N3O2/c1-4-6-7-12-28(33)31(18-5-2)22-29(34)32(21-24-15-13-23(3)14-16-24)19-17-25-20-30-27-11-9-8-10-26(25)27/h8-11,13-16,20,30H,4-7,12,17-19,21-22H2,1-3H3

InChI Key

MNWCXKQDXMOYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.663

Distribution Coefficient, logD

5.663

Water Solubility, LogSw

-5.40

Polar Surface Area

41.705

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V005-5459 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5459?
Check Price and Availability of V005-5459, 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 V005-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5459
  • 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 V005-5459 available by request