E793-0536 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

E793-0536 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
E793-0536 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-0536
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}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

E793-0536

Molecular Formula

C23H19N3O5S2 (C23 H19 N3 O5 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1N(C1=O)C(SCC(Nc(cc2)cc3c2OCCO3)=O)=Nc2c1scc2

InChI

InChI=1S/C23H19N3O5S2/c1-29-16-5-3-15(4-6-16)26-22(28)21-17(8-11-32-21)25-23(26)33-13-20(27)24-14-2-7-18-19(12-14)31-10-9-30-18/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)

InChI Key

UGGXPOCORPESOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.58

Polar Surface Area

72.694

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E793-0536 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E793-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-0536?
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What is the minimum amount of E793-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-0536
  • 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 E793-0536 available by request