V004-7025 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N,N-diethyl-1,3-thiazole-4-carboxamide

V004-7025 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N,N-diethyl-1,3-thiazole-4-carboxamide
V004-7025 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N,N-diethyl-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7025
2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N,N-diethyl-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

V004-7025

Molecular Formula

C30H34FN3O3S (C30 H34 FN3 O3 S)

Compound Name

2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N,N-diethyl-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-NN-diethyl-13-thiazole-4-carboxamide

SMILES

CCN(CC)C(c1csc(COc2cc(C(c(cc3)ccc3F)N(CC3)C(C4CCCC4)=O)c3cc2)n1)=O

InChI

InChI=1S/C30H34FN3O3S/c1-3-33(4-2)30(36)26-19-38-27(32-26)18-37-24-14-11-20-15-16-34(29(35)22-7-5-6-8-22)28(25(20)17-24)21-9-12-23(31)13-10-21/h9-14,17,19,22,28H,3-8,15-16,18H2,1-2H3/t28-/m0/s1

InChI Key

DYSGDQUICIRDJY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19917138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.928

Distribution Coefficient, logD

5.928

Water Solubility, LogSw

-5.48

Polar Surface Area

50.080

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V004-7025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7025?
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What is the minimum amount of V004-7025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7025
  • 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 V004-7025 available by request