V029-4516 Screening compound: 3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]propanamide

V029-4516 Screening compound: 3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]propanamide
V029-4516 Screening compound: 3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4516
3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]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

V029-4516

Molecular Formula

C22H19ClN4O (C22 H19 ClN4 O)

Compound Name

3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]propanamide

IUPAC name

3-(6-chloropyridin-3-yl)-3-(1H-indol-3-yl)-N-[(pyridin-4-yl)methyl]propanamide

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c(cc1)cnc1Cl)NCc1ccncc1

InChI

InChI=1S/C22H19ClN4O/c23-21-6-5-16(13-26-21)18(19-14-25-20-4-2-1-3-17(19)20)11-22(28)27-12-15-7-9-24-10-8-15/h1-10,13-14,18,25H,11-12H2,(H,27,28)

InChI Key

JHNIPMBJHLXYQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493367

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.53

Polar Surface Area

52.470

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

V029-4516 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-4516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4516?
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What is the minimum amount of V029-4516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4516
  • 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 V029-4516 available by request