V021-5148 Screening compound: 1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one

V021-5148 Screening compound: 1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
V021-5148 Screening compound: 1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5148
1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one

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

V021-5148

Molecular Formula

C34H39N3O5 (C34 H39 N3 O5)

Compound Name

1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[5-({[2-cyclopentanecarbonyl-1-(3-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1ccc(COc2cc(C(c3cc(C)ccc3)N(CC3)C(C4CCCC4)=O)c3cc2)o1)=O)=O

InChI

InChI=1S/C34H39N3O5/c1-23-6-5-9-27(20-23)32-30-21-28(11-10-25(30)14-15-37(32)33(39)26-7-3-4-8-26)41-22-29-12-13-31(42-29)34(40)36-18-16-35(17-19-36)24(2)38/h5-6,9-13,20-21,26,32H,3-4,7-8,14-19,22H2,1-2H3/t32-/m0/s1

InChI Key

WMTDELUFWFFYNY-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19918089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.520

Distribution Coefficient, logD

5.520

Water Solubility, LogSw

-5.34

Polar Surface Area

65.332

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.10

V021-5148 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V021-5148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5148?
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What is the minimum amount of V021-5148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5148
  • 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 V021-5148 available by request