K788-9502 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9502 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9502 Screening compound: (2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9502
(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-9502

Molecular Formula

C28H27N3O2S (C28 H27 N3 O2 S)

Compound Name

(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-3-oxo-2-(phenylmethylidene)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C28H27N3O2S/c32-27(29-14-6-15-31-16-13-21-9-4-5-10-23(21)19-31)22-11-12-25-24(18-22)30-28(33)26(34-25)17-20-7-2-1-3-8-20/h1-5,7-12,17-18H,6,13-16,19H2,(H,29,32)(H,30,33)

InChI Key

USRVYLHVUXYHLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.76

Polar Surface Area

52.744

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K788-9502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9502?
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What is the minimum amount of K788-9502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9502
  • 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 K788-9502 available by request