T604-0391 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one

T604-0391 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
T604-0391 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0391
2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one

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

T604-0391

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-34-dihydropyrimidin-4-one

SMILES

Cc1ccc(CN(C(c(cc2)ccc2Cl)=NC(C)=C2CCO)C2=O)cc1

InChI

InChI=1S/C21H21ClN2O2/c1-14-3-5-16(6-4-14)13-24-20(17-7-9-18(22)10-8-17)23-15(2)19(11-12-25)21(24)26/h3-10,25H,11-13H2,1-2H3

InChI Key

MFAXZGYDTVSHND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-4.09

Polar Surface Area

41.657

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

T604-0391 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T604-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0391?
Check Price and Availability of T604-0391, 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 T604-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0391
  • 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 T604-0391 available by request