V005-0842 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide

V005-0842 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide
V005-0842 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0842
2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide

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

V005-0842

Molecular Formula

C28H33FN2O3 (C28 H33 FN2 O3)

Compound Name

2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide

IUPAC name

2-{[2-cyclopentanecarbonyl-1-(4-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-cyclopropylbutanamide

SMILES

CCC(C(NC1CC1)=O)Oc1cc(C(c(cc2)ccc2F)N(CC2)C(C3CCCC3)=O)c2cc1

InChI

InChI=1S/C28H33FN2O3/c1-2-25(27(32)30-22-12-13-22)34-23-14-9-18-15-16-31(28(33)20-5-3-4-6-20)26(24(18)17-23)19-7-10-21(29)11-8-19/h7-11,14,17,20,22,25-26H,2-6,12-13,15-16H2,1H3,(H,30,32)

InChI Key

QGXWQVPZGORLBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-5.32

Polar Surface Area

47.561

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V005-0842 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V005-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0842?
Check Price and Availability of V005-0842, 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 V005-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0842
  • 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 V005-0842 available by request