V004-7311 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-1,3-thiazole-4-carboxamide

V004-7311 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-1,3-thiazole-4-carboxamide
V004-7311 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7311
2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-1,3-thiazole-4-carboxamide

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

V004-7311

Molecular Formula

C30H33N3O4S (C30 H33 N3 O4 S)

Compound Name

2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(oxolan-2-yl)methyl]-13-thiazole-4-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4nc(C(NCC5OCCC5)=O)cs4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C30H33N3O4S/c1-19-4-6-21(7-5-19)28-25-15-23(11-10-20(25)12-13-33(28)30(35)22-8-9-22)37-17-27-32-26(18-38-27)29(34)31-16-24-3-2-14-36-24/h4-7,10-11,15,18,22,24,28H,2-3,8-9,12-14,16-17H2,1H3,(H,31,34)

InChI Key

DIEGGQCASQEFHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.943

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-4.65

Polar Surface Area

67.180

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.30

V004-7311 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-7311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7311?
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What is the minimum amount of V004-7311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7311
  • 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 V004-7311 available by request