C794-1347 Screening compound: 1-(4-methoxybenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one

C794-1347 Screening compound: 1-(4-methoxybenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
C794-1347 Screening compound: 1-(4-methoxybenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1347
1-(4-methoxybenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-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

C794-1347

Molecular Formula

C25H24N2O2S (C25 H24 N2 O2 S)

Compound Name

1-(4-methoxybenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one

IUPAC name

10-[(4-methoxyphenyl)methyl]-14-phenyl-8-thia-1013-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)13-trien-11-one

SMILES

COc1ccc(CN(c(sc2c3CCCC2)c3C(c2ccccc2)=NC2)C2=O)cc1

InChI

InChI=1S/C25H24N2O2S/c1-29-19-13-11-17(12-14-19)16-27-22(28)15-26-24(18-7-3-2-4-8-18)23-20-9-5-6-10-21(20)30-25(23)27/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3

InChI Key

OXKCAWZYLYLJIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.10

Polar Surface Area

31.858

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C794-1347 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1347?
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What is the minimum amount of C794-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1347
  • 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 C794-1347 available by request