V029-5661 Screening compound: 3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide

V029-5661 Screening compound: 3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide
V029-5661 Screening compound: 3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5661
3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide

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

V029-5661

Molecular Formula

C27H29N3O (C27 H29 N3 O)

Compound Name

3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide

IUPAC name

3-(1-methyl-1H-indol-3-yl)-4-phenyl-N-[2-(pyridin-2-yl)ethyl]pentanamide

SMILES

CC(C(CC(NCCc1ncccc1)=O)c1cn(C)c2c1cccc2)c1ccccc1

InChI

InChI=1S/C27H29N3O/c1-20(21-10-4-3-5-11-21)24(25-19-30(2)26-14-7-6-13-23(25)26)18-27(31)29-17-15-22-12-8-9-16-28-22/h3-14,16,19-20,24H,15,17-18H2,1-2H3,(H,29,31)

InChI Key

LSZIEBOONFKPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19777991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.14

Polar Surface Area

36.111

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.93

V029-5661 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-5661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5661?
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What is the minimum amount of V029-5661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5661
  • 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 V029-5661 available by request