V028-0747 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine-5-carboxamide

V028-0747 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine-5-carboxamide
V028-0747 Screening compound: N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0747
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine-5-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

V028-0747

Molecular Formula

C28H25FN4O2 (C28 H25 FN4 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine-5-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-(1234-tetrahydroisoquinolin-2-yl)pyrimidine-5-carboxamide

SMILES

COc(cc1)ccc1-c(nc1)nc(N(CC2)Cc3c2cccc3)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C28H25FN4O2/c1-35-24-12-8-21(9-13-24)26-30-17-25(28(34)31-16-19-6-10-23(29)11-7-19)27(32-26)33-15-14-20-4-2-3-5-22(20)18-33/h2-13,17H,14-16,18H2,1H3,(H,31,34)

InChI Key

ZUMJTLKFPAJFGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19810573

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.34

Polar Surface Area

54.064

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V028-0747 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0747?
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What is the minimum amount of V028-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0747
  • 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 V028-0747 available by request