E793-4811 Screening compound: 2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

E793-4811 Screening compound: 2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
E793-4811 Screening compound: 2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-4811
2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

E793-4811

Molecular Formula

C25H30N4O3S2 (C25 H30 N4 O3 S2)

Compound Name

2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[3-(piperidin-1-yl)propyl]-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSC(N(CCCN1CCCCC1)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C25H30N4O3S2/c1-18-6-7-21-20(16-18)28(13-14-32-21)22(30)17-34-25-26-19-8-15-33-23(19)24(31)29(25)12-5-11-27-9-3-2-4-10-27/h6-8,15-16H,2-5,9-14,17H2,1H3

InChI Key

MJRXOEDHWLFEFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-3.81

Polar Surface Area

53.759

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E793-4811 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E793-4811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-4811?
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What is the minimum amount of E793-4811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-4811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-4811
  • 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 E793-4811 available by request