C798-1010 Screening compound: N~1~-{2-[benzyl(methyl)amino]ethyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

C798-1010 Screening compound: N~1~-{2-[benzyl(methyl)amino]ethyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide
C798-1010 Screening compound: N~1~-{2-[benzyl(methyl)amino]ethyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1010
N~1~-{2-[benzyl(methyl)amino]ethyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

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

C798-1010

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

N~1~-{2-[benzyl(methyl)amino]ethyl}-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-3-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-yl}propanamide

SMILES

CN(CCNC(CCN(c(cccc1)c1Sc1ncccc11)C1=O)=O)Cc1ccccc1

InChI

InChI=1S/C25H26N4O2S/c1-28(18-19-8-3-2-4-9-19)17-15-26-23(30)13-16-29-21-11-5-6-12-22(21)32-24-20(25(29)31)10-7-14-27-24/h2-12,14H,13,15-18H2,1H3,(H,26,30)

InChI Key

SKCKEQDBFCKJLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-3.60

Polar Surface Area

54.839

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C798-1010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C798-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1010?
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What is the minimum amount of C798-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1010
  • 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 C798-1010 available by request