V008-3846 Screening compound: 4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

V008-3846 Screening compound: 4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
V008-3846 Screening compound: 4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3846
4-({2-[4-(2,5-dimethylfuran-3-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

V008-3846

Molecular Formula

C31H36N4O3 (C31 H36 N4 O3)

Compound Name

4-({2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

IUPAC name

4-({2-[4-(25-dimethylfuran-3-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile

SMILES

Cc1cc(C(N2CCN(CC(c3cc(N4CCCC4)ccc3)OCc(cc3)ccc3C#N)CC2)=O)c(C)o1

InChI

InChI=1S/C31H36N4O3/c1-23-18-29(24(2)38-23)31(36)35-16-14-33(15-17-35)21-30(37-22-26-10-8-25(20-32)9-11-26)27-6-5-7-28(19-27)34-12-3-4-13-34/h5-11,18-19,30H,3-4,12-17,21-22H2,1-2H3/t30-/m0/s1

InChI Key

DYYJXJIZKQCLTL-PMERELPUSA-N

MDL Number (MFCD)

MFCD19953416

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.21

Polar Surface Area

55.929

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V008-3846 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 V008-3846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3846?
Check Price and Availability of V008-3846, 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 V008-3846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3846
  • 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 V008-3846 available by request