V029-3226 Screening compound: 2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide

V029-3226 Screening compound: 2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide
V029-3226 Screening compound: 2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3226
2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide

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

V029-3226

Molecular Formula

C29H28ClFN4O2 (C29 H28 ClFN4 O2)

Compound Name

2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide

IUPAC name

2-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1H-indol-5-yl]benzamide

SMILES

CCN(CC1)CCN1C(c1cc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2n1Cc1cc(F)ccc1)=O

InChI

InChI=1S/C29H28ClFN4O2/c1-2-33-12-14-34(15-13-33)29(37)27-18-21-17-23(32-28(36)24-8-3-4-9-25(24)30)10-11-26(21)35(27)19-20-6-5-7-22(31)16-20/h3-11,16-18H,2,12-15,19H2,1H3,(H,32,36)

InChI Key

RKCPYTANHMRVOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779583

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.38

Polar Surface Area

43.969

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V029-3226 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V029-3226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3226?
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What is the minimum amount of V029-3226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3226
  • 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 V029-3226 available by request