V029-4653 Screening compound: N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

V029-4653 Screening compound: N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
V029-4653 Screening compound: N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4653
N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-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

V029-4653

Molecular Formula

C29H28F3N3O2 (C29 H28 F3 N3 O2)

Compound Name

N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

IUPAC name

N-benzyl-5-(3-methylbutanamido)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

SMILES

CC(C)CC(Nc(cc1)cc2c1n(Cc1ccc(C(F)(F)F)cc1)c(C(NCc1ccccc1)=O)c2)=O

InChI

InChI=1S/C29H28F3N3O2/c1-19(2)14-27(36)34-24-12-13-25-22(15-24)16-26(28(37)33-17-20-6-4-3-5-7-20)35(25)18-21-8-10-23(11-9-21)29(30,31)32/h3-13,15-16,19H,14,17-18H2,1-2H3,(H,33,37)(H,34,36)

InChI Key

KSOTXVCCKNPFON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779835

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.584

Distribution Coefficient, logD

6.584

Water Solubility, LogSw

-5.85

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

24.10

V029-4653 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V029-4653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4653?
Check Price and Availability of V029-4653, 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 V029-4653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4653
  • 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 V029-4653 available by request