V020-9480 Screening compound: N~1~-{3-[3-(4-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-methylbenzamide

V020-9480 Screening compound: N~1~-{3-[3-(4-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-methylbenzamide
V020-9480 Screening compound: N~1~-{3-[3-(4-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9480
N~1~-{3-[3-(4-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-methylbenzamide

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

V020-9480

Molecular Formula

C26H24N4O2 (C26 H24 N4 O2)

Compound Name

N~1~-{3-[3-(4-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-methylbenzamide

IUPAC name

N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2cccc(N(CCCN3Cc(cc4)ccc4C#N)C3=O)c2)=O)c1

InChI

InChI=1S/C26H24N4O2/c1-19-5-2-6-22(15-19)25(31)28-23-7-3-8-24(16-23)30-14-4-13-29(26(30)32)18-21-11-9-20(17-27)10-12-21/h2-3,5-12,15-16H,4,13-14,18H2,1H3,(H,28,31)

InChI Key

SLAFQNXDPGEDRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

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

4.484

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.23

Polar Surface Area

59.944

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V020-9480 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V020-9480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9480?
Check Price and Availability of V020-9480, 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 V020-9480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9480
  • 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 V020-9480 available by request