K788-9396 Screening compound: (2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-9396 Screening compound: (2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-9396 Screening compound: (2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9396
(2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K788-9396

Molecular Formula

C30H30N2O2S (C30 H30 N2 O2 S)

Compound Name

(2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-4-[(2-methylphenyl)methyl]-2-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(CC1)CCN1C(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O

InChI

InChI=1S/C30H30N2O2S/c1-21-15-17-31(18-16-21)29(33)24-13-11-23(12-14-24)19-28-30(34)32(20-25-8-4-3-7-22(25)2)26-9-5-6-10-27(26)35-28/h3-14,19,21H,15-18,20H2,1-2H3

InChI Key

MTZGUNUUZRIFSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.506

Distribution Coefficient, logD

6.506

Water Solubility, LogSw

-5.68

Polar Surface Area

31.718

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-9396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9396?
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What is the minimum amount of K788-9396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9396
  • 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 K788-9396 available by request