K788-3849 Screening compound: N~1~-(4-methylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

K788-3849 Screening compound: N~1~-(4-methylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
K788-3849 Screening compound: N~1~-(4-methylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3849
N~1~-(4-methylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-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

K788-3849

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

N~1~-(4-methylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

IUPAC name

N-(4-methylphenyl)-2-[10-oxo-6-(pyrrolidine-1-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl]acetamide

SMILES

Cc(cc1)ccc1NC(CN(c(cc(cc1)C(N2CCCC2)=O)c1Sc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H25N3O3S/c1-18-8-11-20(12-9-18)28-25(31)17-30-22-16-19(26(32)29-14-4-5-15-29)10-13-24(22)34-23-7-3-2-6-21(23)27(30)33/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,28,31)

InChI Key

OMLDKIKOFZCDOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.32

Polar Surface Area

55.564

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K788-3849 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K788-3849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3849?
Check Price and Availability of K788-3849, 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 K788-3849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3849
  • 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 K788-3849 available by request