V008-6055 Screening compound: N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide

V008-6055 Screening compound: N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide
V008-6055 Screening compound: N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6055
N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide

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

V008-6055

Molecular Formula

C31H35N3O2S (C31 H35 N3 O2 S)

Compound Name

N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide

IUPAC name

N-({benzyl[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-(2-methylpropyl)-2-(phenylsulfanyl)acetamide

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccccc1)=O)C(CSc1ccccc1)=O

InChI

InChI=1S/C31H35N3O2S/c1-24(2)20-34(31(36)23-37-27-13-7-4-8-14-27)22-30(35)33(21-25-11-5-3-6-12-25)18-17-26-19-32-29-16-10-9-15-28(26)29/h3-16,19,24,32H,17-18,20-23H2,1-2H3

InChI Key

WQDHZGKKAHLIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19734895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.540

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-5.59

Polar Surface Area

41.455

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V008-6055 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-6055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6055?
Check Price and Availability of V008-6055, 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 V008-6055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6055
  • 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 V008-6055 available by request