V028-9077 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methylphenyl)-N~5~-(2-morpholinoethyl)-5-pyrimidinecarboxamide

V028-9077 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methylphenyl)-N~5~-(2-morpholinoethyl)-5-pyrimidinecarboxamide
V028-9077 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methylphenyl)-N~5~-(2-morpholinoethyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9077
4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methylphenyl)-N~5~-(2-morpholinoethyl)-5-pyrimidinecarboxamide

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

V028-9077

Molecular Formula

C27H31N5O2 (C27 H31 N5 O2)

Compound Name

4-[3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methylphenyl)-N~5~-(2-morpholinoethyl)-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c(nc1)nc(N(CC2)Cc3c2cccc3)c1C(NCCN1CCOCC1)=O

InChI

InChI=1S/C27H31N5O2/c1-20-6-8-22(9-7-20)25-29-18-24(27(33)28-11-13-31-14-16-34-17-15-31)26(30-25)32-12-10-21-4-2-3-5-23(21)19-32/h2-9,18H,10-17,19H2,1H3,(H,28,33)

InChI Key

TWJNLKOXABHERL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-3.94

Polar Surface Area

58.253

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V028-9077 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-9077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9077?
Check Price and Availability of V028-9077, 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 V028-9077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9077
  • 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 V028-9077 available by request