T604-0531 Screening compound: 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide

T604-0531 Screening compound: 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide
T604-0531 Screening compound: 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0531
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide

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

T604-0531

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-16-dihydropyrimidin-1-yl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(C(c2cccc(Cl)c2)=NC(C)=C2CCO)C2=O)=O)c1

InChI

InChI=1S/C22H22ClN3O3/c1-14-5-3-8-18(11-14)25-20(28)13-26-21(16-6-4-7-17(23)12-16)24-15(2)19(9-10-27)22(26)29/h3-8,11-12,27H,9-10,13H2,1-2H3,(H,25,28)

InChI Key

CBDZCSHGJNETHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20745354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.35

Polar Surface Area

64.806

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

T604-0531 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 T604-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0531?
Check Price and Availability of T604-0531, 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 T604-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0531
  • 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 T604-0531 available by request