T604-0085 Screening compound: 5-(2-hydroxyethyl)-6-methyl-3-[(3-methylphenyl)methyl]-2-phenyl-3,4-dihydropyrimidin-4-one

T604-0085 Screening compound: 5-(2-hydroxyethyl)-6-methyl-3-[(3-methylphenyl)methyl]-2-phenyl-3,4-dihydropyrimidin-4-one
T604-0085 Screening compound: 5-(2-hydroxyethyl)-6-methyl-3-[(3-methylphenyl)methyl]-2-phenyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0085
5-(2-hydroxyethyl)-6-methyl-3-[(3-methylphenyl)methyl]-2-phenyl-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

T604-0085

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(C(c2ccccc2)=NC(C)=C2CCO)C2=O)c1

InChI

InChI=1S/C21H22N2O2/c1-15-7-6-8-17(13-15)14-23-20(18-9-4-3-5-10-18)22-16(2)19(11-12-24)21(23)25/h3-10,13,24H,11-12,14H2,1-2H3

InChI Key

QPMXVZWDAONOOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

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

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.20

Polar Surface Area

41.657

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

T604-0085 in Drug Discovery

Included in Screening Libraries

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with T604-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0085?
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What is the minimum amount of T604-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0085
  • 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 T604-0085 available by request