K788-3865 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

K788-3865 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[11-oxo-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
K788-3865 Screening compound: N~1~-(2,4-dimethylphenyl)-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 K788-3865
N~1~-(2,4-dimethylphenyl)-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

K788-3865

Molecular Formula

C28H27N3O3S (C28 H27 N3 O3 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-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)cc(C)c1NC(CN(c(cc(cc1)C(N2CCCC2)=O)c1Sc1c2cccc1)C2=O)=O

InChI

InChI=1S/C28H27N3O3S/c1-18-9-11-22(19(2)15-18)29-26(32)17-31-23-16-20(27(33)30-13-5-6-14-30)10-12-25(23)35-24-8-4-3-7-21(24)28(31)34/h3-4,7-12,15-16H,5-6,13-14,17H2,1-2H3,(H,29,32)

InChI Key

XFZTVZWNJNBKPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

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

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.33

Polar Surface Area

54.866

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-3865 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K788-3865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3865?
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What is the minimum amount of K788-3865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3865
  • 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 K788-3865 available by request