V024-0839 Screening compound: 2-{[(2-cyclopentanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]methyl}-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

V024-0839 Screening compound: 2-{[(2-cyclopentanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]methyl}-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
V024-0839 Screening compound: 2-{[(2-cyclopentanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]methyl}-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-0839
2-{[(2-cyclopentanecarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]methyl}-N-(3-methylbutyl)-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

V024-0839

Molecular Formula

C31H37N3O3S (C31 H37 N3 O3 S)

Compound Name

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

IUPAC name

2-{[(2-cyclopentanecarbonyl-1-phenyl-1234-tetrahydroisoquinolin-7-yl)oxy]methyl}-N-(3-methylbutyl)-13-thiazole-4-carboxamide

SMILES

CC(C)CCNC(c1csc(COc2cc(C(c3ccccc3)N(CC3)C(C4CCCC4)=O)c3cc2)n1)=O

InChI

InChI=1S/C31H37N3O3S/c1-21(2)14-16-32-30(35)27-20-38-28(33-27)19-37-25-13-12-22-15-17-34(31(36)24-10-6-7-11-24)29(26(22)18-25)23-8-4-3-5-9-23/h3-5,8-9,12-13,18,20-21,24,29H,6-7,10-11,14-17,19H2,1-2H3,(H,32,35)/t29-/m0/s1

InChI Key

IQWNEMGXMUADCS-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19916827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.783

Distribution Coefficient, logD

6.783

Water Solubility, LogSw

-5.57

Polar Surface Area

58.674

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

V024-0839 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 V024-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-0839?
Check Price and Availability of V024-0839, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V024-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-0839
  • 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 V024-0839 available by request