E755-0496 Screening compound: 2-(2-{[(2,5-dimethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide

E755-0496 Screening compound: 2-(2-{[(2,5-dimethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide
E755-0496 Screening compound: 2-(2-{[(2,5-dimethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E755-0496
2-(2-{[(2,5-dimethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-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

E755-0496

Molecular Formula

C25H25N5O7S (C25 H25 N5 O7 S)

Compound Name

2-(2-{[(2,5-dimethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide

IUPAC name

2-(2-{[(25-dimethoxyphenyl)(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CC1SC(NC(c(cc(cc2)OC)c2OC)C(C(NC(N2)=O)=O)=C2O)=NC1=O)=O

InChI

InChI=1S/C25H25N5O7S/c1-12-4-6-13(7-5-12)26-18(31)11-17-21(32)30-25(38-17)27-20(19-22(33)28-24(35)29-23(19)34)15-10-14(36-2)8-9-16(15)37-3/h4-10,17,20H,11H2,1-3H3,(H,26,31)(H,27,30,32)(H3,28,29,33,34,35)

InChI Key

FXNWBTOZQCYXDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14916009

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

539.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.619

Distribution Coefficient, logD

-2.679

Water Solubility, LogSw

-2.42

Polar Surface Area

135.404

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

E755-0496 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E755-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E755-0496?
Check Price and Availability of E755-0496, 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 E755-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E755-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E755-0496
  • 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 E755-0496 available by request