T604-0092 Screening compound: 3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

T604-0092 Screening compound: 3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile
T604-0092 Screening compound: 3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0092
3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-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

T604-0092

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl]methyl}benzonitrile

IUPAC name

3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenyl-16-dihydropyrimidin-1-yl]methyl}benzonitrile

SMILES

CC(N=C(c1ccccc1)N1Cc2cc(C#N)ccc2)=C(CCO)C1=O

InChI

InChI=1S/C21H19N3O2/c1-15-19(10-11-25)21(26)24(14-17-7-5-6-16(12-17)13-22)20(23-15)18-8-3-2-4-9-18/h2-9,12,25H,10-11,14H2,1H3

InChI Key

PWVXWFRZXZQWIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

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

2.125

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-2.60

Polar Surface Area

58.713

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T604-0092 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Inhibitors of beta-Catenin Signaling (7445 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 T604-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0092?
Check Price and Availability of T604-0092, 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 T604-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0092
  • 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 T604-0092 available by request