V013-6252 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide

V013-6252 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide
V013-6252 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6252
3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide

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

V013-6252

Molecular Formula

C30H33N3O3 (C30 H33 N3 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-hexyl-3-phenylpropanamide

SMILES

CCCCCCNC(CC(c1cn(Cc2ccccc2)c(cc2)c1cc2[N+]([O-])=O)c1ccccc1)=O

InChI

InChI=1S/C30H33N3O3/c1-2-3-4-11-18-31-30(34)20-26(24-14-9-6-10-15-24)28-22-32(21-23-12-7-5-8-13-23)29-17-16-25(33(35)36)19-27(28)29/h5-10,12-17,19,22,26H,2-4,11,18,20-21H2,1H3,(H,31,34)/t26-/m1/s1

InChI Key

VNYLNCAJCXIZBC-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19848831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.737

Distribution Coefficient, logD

6.737

Water Solubility, LogSw

-5.70

Polar Surface Area

59.393

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V013-6252 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V013-6252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6252?
Check Price and Availability of V013-6252, 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 V013-6252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6252
  • 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 V013-6252 available by request