V009-1781 Screening compound: 2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-1-one

V009-1781 Screening compound: 2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-1-one
V009-1781 Screening compound: 2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1781
2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-1-one

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

V009-1781

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

2-cyclopropyl-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)-1234-tetrahydroisoquinolin-1-one

SMILES

COCCN(CC1)CCN1C(C(C(c1cc(OC)ccc1)N1C2CC2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C27H33N3O4/c1-33-17-16-28-12-14-29(15-13-28)27(32)24-22-8-3-4-9-23(22)26(31)30(20-10-11-20)25(24)19-6-5-7-21(18-19)34-2/h3-9,18,20,24-25H,10-17H2,1-2H3

InChI Key

PHXHXXAMMRJISW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975543

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-3.17

Polar Surface Area

51.529

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V009-1781 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with V009-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1781?
Check Price and Availability of V009-1781, 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 V009-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1781
  • 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 V009-1781 available by request