C798-1083 Screening compound: N~1~-(3-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide

C798-1083 Screening compound: N~1~-(3-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide
C798-1083 Screening compound: N~1~-(3-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1083
N~1~-(3-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]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

C798-1083

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

N~1~-(3-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide

IUPAC name

N-(3-methylphenyl)-2-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-yl}acetamide

SMILES

Cc1cccc(NC(CN(c(cccc2)c2Sc2ncccc22)C2=O)=O)c1

InChI

InChI=1S/C21H17N3O2S/c1-14-6-4-7-15(12-14)23-19(25)13-24-17-9-2-3-10-18(17)27-20-16(21(24)26)8-5-11-22-20/h2-12H,13H2,1H3,(H,23,25)

InChI Key

UUESBUSMLNYFBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.15

Polar Surface Area

49.602

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C798-1083 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C798-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1083?
Check Price and Availability of C798-1083, 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 C798-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1083
  • 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 C798-1083 available by request