E793-2388 Screening compound: 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

E793-2388 Screening compound: 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
E793-2388 Screening compound: 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-2388
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)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

E793-2388

Molecular Formula

C24H21N3O5S2 (C24 H21 N3 O5 S2)

Compound Name

2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-({3-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CSC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C24H21N3O5S2/c1-2-30-17-6-4-16(5-7-17)25-21(28)13-34-24-26-18-9-10-33-22(18)23(29)27(24)12-15-3-8-19-20(11-15)32-14-31-19/h3-11H,2,12-14H2,1H3,(H,25,28)

InChI Key

SPTHNLKLFVDWAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.32

Polar Surface Area

74.178

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E793-2388 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E793-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-2388?
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What is the minimum amount of E793-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-2388
  • 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 E793-2388 available by request