V028-0496 Screening compound: [4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(3-methylphenyl)-5-pyrimidinyl](4-ethylpiperazino)methanone

V028-0496 Screening compound: [4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(3-methylphenyl)-5-pyrimidinyl](4-ethylpiperazino)methanone
V028-0496 Screening compound: [4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(3-methylphenyl)-5-pyrimidinyl](4-ethylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0496
[4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(3-methylphenyl)-5-pyrimidinyl](4-ethylpiperazino)methanone

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

V028-0496

Molecular Formula

C27H31N5O (C27 H31 N5 O)

Compound Name

[4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(3-methylphenyl)-5-pyrimidinyl](4-ethylpiperazino)methanone

IUPAC name

n/a

SMILES

CCN(CC1)CCN1C(c1c(N(CC2)Cc3c2cccc3)nc(-c2cc(C)ccc2)nc1)=O

InChI

InChI=1S/C27H31N5O/c1-3-30-13-15-31(16-14-30)27(33)24-18-28-25(22-10-6-7-20(2)17-22)29-26(24)32-12-11-21-8-4-5-9-23(21)19-32/h4-10,17-18H,3,11-16,19H2,1-2H3

InChI Key

MOEKGNOBIJZFFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19807821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.13

Polar Surface Area

42.292

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V028-0496 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0496?
Check Price and Availability of V028-0496, 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 V028-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0496
  • 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 V028-0496 available by request