8011-4496 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

8011-4496 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
8011-4496 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4496
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)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

8011-4496

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamide

SMILES

N#Cc1c(NC(CC2Sc(cccc3)c3NC2=O)=O)sc2c1CCCC2

InChI

InChI=1S/C19H17N3O2S2/c20-10-12-11-5-1-3-7-14(11)26-19(12)22-17(23)9-16-18(24)21-13-6-2-4-8-15(13)25-16/h2,4,6,8,16H,1,3,5,7,9H2,(H,21,24)(H,22,23)/t16-/m0/s1

InChI Key

AKNJWENBBGECNR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02319718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-3.74

Polar Surface Area

64.765

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8011-4496 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Proline Kinase Library (2105 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8011-4496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4496?
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What is the minimum amount of 8011-4496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4496
  • 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 8011-4496 available by request