V029-5731 Screening compound: 3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

V029-5731 Screening compound: 3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
V029-5731 Screening compound: 3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5731
3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

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

V029-5731

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

IUPAC name

3-(4-ethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NCCc1ncccc1)=O)c(cc1)ccc1OCC

InChI

InChI=1S/C28H31N3O2/c1-3-20-8-7-10-24-26(19-31-28(20)24)25(21-11-13-23(14-12-21)33-4-2)18-27(32)30-17-15-22-9-5-6-16-29-22/h5-14,16,19,25,31H,3-4,15,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1

InChI Key

WTEHLOLCWJZNIP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19777710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.57

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

4.799

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.61

Polar Surface Area

51.316

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V029-5731 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 V029-5731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5731?
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What is the minimum amount of V029-5731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5731
  • 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 V029-5731 available by request