V004-0369 Screening compound: 4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

V004-0369 Screening compound: 4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
V004-0369 Screening compound: 4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0369
4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

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

V004-0369

Molecular Formula

C30H34N4O2S (C30 H34 N4 O2 S)

Compound Name

4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

IUPAC name

4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

SMILES

Cc1c(C(N2CCN(CC(c3cc(N4CCCC4)ccc3)OCc(cc3)ccc3C#N)CC2)=O)scc1

InChI

InChI=1S/C30H34N4O2S/c1-23-11-18-37-29(23)30(35)34-16-14-32(15-17-34)21-28(36-22-25-9-7-24(20-31)8-10-25)26-5-4-6-27(19-26)33-12-2-3-13-33/h4-11,18-19,28H,2-3,12-17,21-22H2,1H3/t28-/m0/s1

InChI Key

NQVUDWPIECZZOU-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19953366

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.47

Polar Surface Area

49.201

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V004-0369 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0369?
Check Price and Availability of V004-0369, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0369
  • 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 V004-0369 available by request