V005-5456 Screening compound: 2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide

V005-5456 Screening compound: 2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide
V005-5456 Screening compound: 2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5456
2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide

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

V005-5456

Molecular Formula

C31H42FN3O3 (C31 H42 FN3 O3)

Compound Name

2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide

IUPAC name

2-ethyl-N-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(3-methoxypropyl)hexanamide

SMILES

CCCCC(CC)C(N(CCCOC)CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C31H42FN3O3/c1-4-6-10-25(5-2)31(37)35(18-9-20-38-3)23-30(36)34(22-24-13-15-27(32)16-14-24)19-17-26-21-33-29-12-8-7-11-28(26)29/h7-8,11-16,21,25,33H,4-6,9-10,17-20,22-23H2,1-3H3/t25-/m0/s1

InChI Key

LLOLOOPPJNREEL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19741627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.59

Polar Surface Area

50.575

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.40

V005-5456 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 V005-5456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5456?
Check Price and Availability of V005-5456, 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 V005-5456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5456
  • 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 V005-5456 available by request