E793-2465 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

E793-2465 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one
E793-2465 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-2465
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-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

E793-2465

Molecular Formula

C25H21N3O5S2 (C25 H21 N3 O5 S2)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C25H21N3O5S2/c1-15-2-4-19-18(10-15)27(7-8-31-19)22(29)13-35-25-26-17-6-9-34-23(17)24(30)28(25)12-16-3-5-20-21(11-16)33-14-32-20/h2-6,9-11H,7-8,12-14H2,1H3

InChI Key

AEULIZGANHEODJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.35

Polar Surface Area

66.913

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E793-2465 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E793-2465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-2465?
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What is the minimum amount of E793-2465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-2465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-2465
  • 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 E793-2465 available by request