V030-4458 Screening compound: N-benzyl-1-[(2,5-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide

V030-4458 Screening compound: N-benzyl-1-[(2,5-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide
V030-4458 Screening compound: N-benzyl-1-[(2,5-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4458
N-benzyl-1-[(2,5-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide

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

V030-4458

Molecular Formula

C30H33N3O2 (C30 H33 N3 O2)

Compound Name

N-benzyl-1-[(2,5-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide

IUPAC name

N-benzyl-1-[(25-dimethylphenyl)methyl]-5-(3-methylbutanamido)-1H-indole-2-carboxamide

SMILES

CC(C)CC(Nc(cc1)cc2c1n(Cc1c(C)ccc(C)c1)c(C(NCc1ccccc1)=O)c2)=O

InChI

InChI=1S/C30H33N3O2/c1-20(2)14-29(34)32-26-12-13-27-24(16-26)17-28(30(35)31-18-23-8-6-5-7-9-23)33(27)19-25-15-21(3)10-11-22(25)4/h5-13,15-17,20H,14,18-19H2,1-4H3,(H,31,35)(H,32,34)

InChI Key

VEBUHGXJLHDEJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776810

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.895

Distribution Coefficient, logD

6.895

Water Solubility, LogSw

-5.82

Polar Surface Area

48.255

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V030-4458 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4458?
Check Price and Availability of V030-4458, 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 V030-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4458
  • 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 V030-4458 available by request