E755-0462 Screening compound: 2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

E755-0462 Screening compound: 2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
E755-0462 Screening compound: 2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E755-0462
2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]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

E755-0462

Molecular Formula

C24H23N5O6S2 (C24 H23 N5 O6 S2)

Compound Name

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

IUPAC name

2-(2-{[(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc1ccc(C(C(C(NC(N2)=O)=O)=C2O)NC(SC2CC(Nc3cc(SC)ccc3)=O)=NC2=O)cc1

InChI

InChI=1S/C24H23N5O6S2/c1-35-14-8-6-12(7-9-14)19(18-21(32)27-23(34)28-22(18)33)26-24-29-20(31)16(37-24)11-17(30)25-13-4-3-5-15(10-13)36-2/h3-10,16,19H,11H2,1-2H3,(H,25,30)(H,26,29,31)(H3,27,28,32,33,34)

InChI Key

LWVUIFXBIBKROW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14916008

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

541.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

-2.938

Water Solubility, LogSw

-2.39

Polar Surface Area

127.774

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with E755-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E755-0462?
Check Price and Availability of E755-0462, 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 E755-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E755-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E755-0462
  • 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 E755-0462 available by request