V017-7396 Screening compound: N-(4-fluorobenzyl)-N-{[4-(4-methoxyphenyl)-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]methyl}acetamide

V017-7396 Screening compound: N-(4-fluorobenzyl)-N-{[4-(4-methoxyphenyl)-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]methyl}acetamide
V017-7396 Screening compound: N-(4-fluorobenzyl)-N-{[4-(4-methoxyphenyl)-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7396
N-(4-fluorobenzyl)-N-{[4-(4-methoxyphenyl)-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]methyl}acetamide

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

V017-7396

Molecular Formula

C27H30FN3O2 (C27 H30 FN3 O2)

Compound Name

N-(4-fluorobenzyl)-N-{[4-(4-methoxyphenyl)-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]methyl}acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-N-{[4-(4-methoxyphenyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl}acetamide

SMILES

CC(N(CC(CN(Cc1ncccc1)C1)C1c(cc1)ccc1OC)Cc(cc1)ccc1F)=O

InChI

InChI=1S/C27H30FN3O2/c1-20(32)31(15-21-6-10-24(28)11-7-21)17-23-16-30(18-25-5-3-4-14-29-25)19-27(23)22-8-12-26(33-2)13-9-22/h3-14,23,27H,15-19H2,1-2H3

InChI Key

HEIHNEJRGMHETE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922565

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-3.60

Polar Surface Area

37.698

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

V017-7396 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-7396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7396?
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What is the minimum amount of V017-7396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7396
  • 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 V017-7396 available by request