K788-9024 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9024 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9024 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9024
N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-9024

Molecular Formula

C30H31ClN2O2S2 (C30 H31 ClN2 O2 S2)

Compound Name

N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CCCCSCCCNC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3cccc(Cl)c3)C2=O)cc1)=O

InChI

InChI=1S/C30H31ClN2O2S2/c1-2-3-17-36-18-7-16-32-29(34)24-14-12-22(13-15-24)20-28-30(35)33(21-23-8-6-9-25(31)19-23)26-10-4-5-11-27(26)37-28/h4-6,8-15,19-20H,2-3,7,16-18,21H2,1H3,(H,32,34)

InChI Key

MYIFGRMGGPLRHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.263

Distribution Coefficient, logD

7.263

Water Solubility, LogSw

-6.27

Polar Surface Area

39.596

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K788-9024 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K788-9024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9024?
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What is the minimum amount of K788-9024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9024
  • 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 K788-9024 available by request