V030-4416 Screening compound: N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)propanamide

V030-4416 Screening compound: N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)propanamide
V030-4416 Screening compound: N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4416
N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)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

V030-4416

Molecular Formula

C23H19Cl2N3O (C23 H19 Cl2 N3 O)

Compound Name

N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)propanamide

IUPAC name

N-benzyl-3-(5-chloro-1H-indol-3-yl)-3-(6-chloropyridin-3-yl)propanamide

SMILES

O=C(CC(c1c[nH]c(cc2)c1cc2Cl)c(cc1)cnc1Cl)NCc1ccccc1

InChI

InChI=1S/C23H19Cl2N3O/c24-17-7-8-21-19(10-17)20(14-26-21)18(16-6-9-22(25)27-13-16)11-23(29)28-12-15-4-2-1-3-5-15/h1-10,13-14,18,26H,11-12H2,(H,28,29)/t18-/m1/s1

InChI Key

OMYMIXNTZGUKEB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD20493169

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-5.34

Polar Surface Area

43.042

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

V030-4416 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 V030-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4416?
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What is the minimum amount of V030-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4416
  • 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 V030-4416 available by request