K788-1521 Screening compound: N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

K788-1521 Screening compound: N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
K788-1521 Screening compound: N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1521
N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]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

K788-1521

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-{2-[benzyl(propan-2-yl)amino]ethyl}-2-[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

CC(C)N(CCNC(/C=C1\Sc(cccc2)c2NC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C22H25N3O2S/c1-16(2)25(15-17-8-4-3-5-9-17)13-12-23-21(26)14-20-22(27)24-18-10-6-7-11-19(18)28-20/h3-11,14,16H,12-13,15H2,1-2H3,(H,23,26)(H,24,27)

InChI Key

RBSSWACFTDLQGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-3.41

Polar Surface Area

52.755

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with K788-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1521?
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What is the minimum amount of K788-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1521
  • 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 K788-1521 available by request