T604-0296 Screening compound: 4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

T604-0296 Screening compound: 4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile
T604-0296 Screening compound: 4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0296
4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

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

T604-0296

Molecular Formula

C21H18FN3O2 (C21 H18 FN3 O2)

Compound Name

4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

IUPAC name

4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-16-dihydropyrimidin-1-yl]methyl}benzonitrile

SMILES

CC(N=C(c(cc1)ccc1F)N1Cc(cc2)ccc2C#N)=C(CCO)C1=O

InChI

InChI=1S/C21H18FN3O2/c1-14-19(10-11-26)21(27)25(13-16-4-2-15(12-23)3-5-16)20(24-14)17-6-8-18(22)9-7-17/h2-9,26H,10-11,13H2,1H3

InChI Key

BJOPKIGRNVGZGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-2.44

Polar Surface Area

58.713

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T604-0296 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T604-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0296?
Check Price and Availability of T604-0296, 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 T604-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0296
  • 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 T604-0296 available by request