C798-0548 Screening compound: 1-(4-chlorobenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one

C798-0548 Screening compound: 1-(4-chlorobenzyl)-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
C798-0548 Screening compound: 1-(4-chlorobenzyl)-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 C798-0548
1-(4-chlorobenzyl)-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

C798-0548

Molecular Formula

C24H21ClN2OS (C24 H21 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc(cc2)ccc2Cl)c(sc2c3CCCC2)c3C(c2ccccc2)=NC1

InChI

InChI=1S/C24H21ClN2OS/c25-18-12-10-16(11-13-18)15-27-21(28)14-26-23(17-6-2-1-3-7-17)22-19-8-4-5-9-20(19)29-24(22)27/h1-3,6-7,10-13H,4-5,8-9,14-15H2

InChI Key

VLKNOEVCTODNIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-6.26

Polar Surface Area

24.314

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C798-0548 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C798-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0548?
Check Price and Availability of C798-0548, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C798-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0548
  • 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 C798-0548 available by request