K788-3345 Screening compound: 2-{2-[(E)-1-(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(dipropylamino)propyl]acetamide

K788-3345 Screening compound: 2-{2-[(E)-1-(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(dipropylamino)propyl]acetamide
K788-3345 Screening compound: 2-{2-[(E)-1-(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(dipropylamino)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3345
2-{2-[(E)-1-(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(dipropylamino)propyl]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

K788-3345

Molecular Formula

C26H32BrN3O2S (C26 H32 BrN3 O2 S)

Compound Name

2-{2-[(E)-1-(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(dipropylamino)propyl]acetamide

IUPAC name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[3-(dipropylamino)propyl]acetamide

SMILES

CCCN(CCC)CCCNC(CN(c(cccc1)c1S/C1=C/c2cccc(Br)c2)C1=O)=O

InChI

InChI=1S/C26H32BrN3O2S/c1-3-14-29(15-4-2)16-8-13-28-25(31)19-30-22-11-5-6-12-23(22)33-24(26(30)32)18-20-9-7-10-21(27)17-20/h5-7,9-12,17-18H,3-4,8,13-16,19H2,1-2H3,(H,28,31)

InChI Key

DJIRMBIZSBQIOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.362

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-5.15

Polar Surface Area

43.573

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

K788-3345 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-3345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3345?
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What is the minimum amount of K788-3345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3345
  • 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 K788-3345 available by request