K788-7269 Screening compound: (2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7269 Screening compound: (2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7269 Screening compound: (2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7269
(2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-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

K788-7269

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

(2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-(butan-2-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCC(C)NC(c(cc1)cc(NC2=O)c1S/C2=C/c1cc(OC)ccc1)=O

InChI

InChI=1S/C21H22N2O3S/c1-4-13(2)22-20(24)15-8-9-18-17(12-15)23-21(25)19(27-18)11-14-6-5-7-16(10-14)26-3/h5-13H,4H2,1-3H3,(H,22,24)(H,23,25)/t13-/m0/s1

InChI Key

GVRVEMPGLNGZNF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15107080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.06

Polar Surface Area

56.515

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K788-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7269?
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What is the minimum amount of K788-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7269
  • 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 K788-7269 available by request