E730-2000 Screening compound: ETHYL 2-{2-[(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE

E730-2000 Screening compound: ETHYL 2-{2-[(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE
E730-2000 Screening compound: ETHYL 2-{2-[(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-2000
ETHYL 2-{2-[(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE

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

E730-2000

Molecular Formula

C18H21N3O6S (C18 H21 N3 O6 S)

Compound Name

ETHYL 2-{2-[(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE

IUPAC name

n/a

SMILES

CCOC(CC(c1c(CC2)cccc1)N2S(C(C(N1)=O)=C(C)NC1=O)(=O)=O)=O

InChI

InChI=1S/C18H21N3O6S/c1-3-27-15(22)10-14-13-7-5-4-6-12(13)8-9-21(14)28(25,26)16-11(2)19-18(24)20-17(16)23/h4-7,14H,3,8-10H2,1-2H3,(H2,19,20,23,24)/t14-/m0/s1

InChI Key

JTYZVUATYVFQNJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14913329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.161

Distribution Coefficient, logD

-1.607

Water Solubility, LogSw

-2.36

Polar Surface Area

100.618

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

E730-2000 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E730-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-2000?
Check Price and Availability of E730-2000, 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 E730-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-2000
  • 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 E730-2000 available by request