V024-3505 Screening compound: 2-({[2-(2-methylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

V024-3505 Screening compound: 2-({[2-(2-methylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
V024-3505 Screening compound: 2-({[2-(2-methylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-3505
2-({[2-(2-methylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-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

V024-3505

Molecular Formula

C30H36N4O3S (C30 H36 N4 O3 S)

Compound Name

2-({[2-(2-methylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-(2-methylpropanoyl)-1-phenyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]-13-thiazole-4-carboxamide

SMILES

CC(C)C(N(CC1)C(c2ccccc2)c2c1ccc(OCc1nc(C(NCCN3CCCC3)=O)cs1)c2)=O

InChI

InChI=1S/C30H36N4O3S/c1-21(2)30(36)34-16-12-22-10-11-24(18-25(22)28(34)23-8-4-3-5-9-23)37-19-27-32-26(20-38-27)29(35)31-13-17-33-14-6-7-15-33/h3-5,8-11,18,20-21,28H,6-7,12-17,19H2,1-2H3,(H,31,35)/t28-/m0/s1

InChI Key

CSEUDZRKOVUYIN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19916080

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-4.59

Polar Surface Area

62.465

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

V024-3505 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-3505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-3505?
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What is the minimum amount of V024-3505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-3505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-3505
  • 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 V024-3505 available by request