T604-0513 Screening compound: ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

T604-0513 Screening compound: ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}benzoate
T604-0513 Screening compound: ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0513
ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

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

T604-0513

Molecular Formula

C24H24ClN3O5 (C24 H24 ClN3 O5)

Compound Name

ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-16-dihydropyrimidin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(c1cccc(Cl)c1)=NC(C)=C1CCO)C1=O)=O)=O

InChI

InChI=1S/C24H24ClN3O5/c1-3-33-24(32)16-7-9-19(10-8-16)27-21(30)14-28-22(17-5-4-6-18(25)13-17)26-15(2)20(11-12-29)23(28)31/h4-10,13,29H,3,11-12,14H2,1-2H3,(H,27,30)

InChI Key

FXBYNTCUYUZRGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20745335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.68

Polar Surface Area

85.560

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

T604-0513 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 T604-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0513?
Check Price and Availability of T604-0513, 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 T604-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0513
  • 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 T604-0513 available by request