V004-7046 Screening compound: cyclopentyl[1-(4-methylphenyl)-7-{[4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]methoxy}-3,4-dihydro-2(1H)-isoquinolinyl]methanone

V004-7046 Screening compound: cyclopentyl[1-(4-methylphenyl)-7-{[4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]methoxy}-3,4-dihydro-2(1H)-isoquinolinyl]methanone
V004-7046 Screening compound: cyclopentyl[1-(4-methylphenyl)-7-{[4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]methoxy}-3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7046
cyclopentyl[1-(4-methylphenyl)-7-{[4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]methoxy}-3,4-dihydro-2(1H)-isoquinolinyl]methanone

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

V004-7046

Molecular Formula

C31H35N3O4 (C31 H35 N3 O4)

Compound Name

cyclopentyl[1-(4-methylphenyl)-7-{[4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]methoxy}-3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

2-cyclopentanecarbonyl-1-(4-methylphenyl)-7-{[4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]methoxy}-1234-tetrahydroisoquinoline

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4nc(C(N5CCCC5)=O)co4)c2)N3C(C2CCCC2)=O)cc1

InChI

InChI=1S/C31H35N3O4/c1-21-8-10-23(11-9-21)29-26-18-25(13-12-22(26)14-17-34(29)30(35)24-6-2-3-7-24)37-20-28-32-27(19-38-28)31(36)33-15-4-5-16-33/h8-13,18-19,24,29H,2-7,14-17,20H2,1H3/t29-/m0/s1

InChI Key

ZMKLQRNBMOBDCC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19917986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.37

Polar Surface Area

59.067

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.16

V004-7046 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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 V004-7046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7046?
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What is the minimum amount of V004-7046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7046
  • 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 V004-7046 available by request