K788-2489 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

K788-2489 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide
K788-2489 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2489
2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)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

K788-2489

Molecular Formula

C24H26ClN3O2S (C24 H26 ClN3 O2 S)

Compound Name

2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

O=C(CN(c(cccc1)c1S/C1=C\c2cccc(Cl)c2)C1=O)NCCCN1CCCC1

InChI

InChI=1S/C24H26ClN3O2S/c25-19-8-5-7-18(15-19)16-22-24(30)28(20-9-1-2-10-21(20)31-22)17-23(29)26-11-6-14-27-12-3-4-13-27/h1-2,5,7-10,15-16H,3-4,6,11-14,17H2,(H,26,29)

InChI Key

RYTPVCSXEBDPJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-4.24

Polar Surface Area

43.731

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K788-2489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2489?
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What is the minimum amount of K788-2489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2489
  • 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 K788-2489 available by request