K788-9799 Screening compound: (2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9799 Screening compound: (2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9799 Screening compound: (2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9799
(2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-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

K788-9799

Molecular Formula

C29H30N2O3S (C29 H30 N2 O3 S)

Compound Name

(2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-(3-ethoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCOCCCNC(c(cc1)cc(N(Cc2cc(C)ccc2)C2=O)c1S/C2=C\c1ccccc1)=O

InChI

InChI=1S/C29H30N2O3S/c1-3-34-16-8-15-30-28(32)24-13-14-26-25(19-24)31(20-23-12-7-9-21(2)17-23)29(33)27(35-26)18-22-10-5-4-6-11-22/h4-7,9-14,17-19H,3,8,15-16,20H2,1-2H3,(H,30,32)

InChI Key

BYEYLSFIVOASGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.886

Distribution Coefficient, logD

5.886

Water Solubility, LogSw

-5.39

Polar Surface Area

47.573

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-9799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9799?
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What is the minimum amount of K788-9799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9799
  • 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 K788-9799 available by request