8011-6446 Screening compound: 6-amino-8-[4-(propan-2-yl)phenyl]-3,7,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile

8011-6446 Screening compound: 6-amino-8-[4-(propan-2-yl)phenyl]-3,7,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile
8011-6446 Screening compound: 6-amino-8-[4-(propan-2-yl)phenyl]-3,7,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6446
6-amino-8-[4-(propan-2-yl)phenyl]-3,7,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile

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

8011-6446

Molecular Formula

C21H20N4S (C21 H20 N4 S)

Compound Name

6-amino-8-[4-(propan-2-yl)phenyl]-3,7,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile

IUPAC name

6-amino-8-[4-(propan-2-yl)phenyl]-3788a-tetrahydro-1H-isothiochromene-577-tricarbonitrile

SMILES

CC(C)c1ccc(C(C2C(C(C#N)=C3N)=CCSC2)C3(C#N)C#N)cc1

InChI

InChI=1S/C21H20N4S/c1-13(2)14-3-5-15(6-4-14)19-18-10-26-8-7-16(18)17(9-22)20(25)21(19,11-23)12-24/h3-7,13,18-19H,8,10,25H2,1-2H3

InChI Key

DOQZLYHJAPRIQA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.38

Polar Surface Area

72.355

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8011-6446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6446?
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What is the minimum amount of 8011-6446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6446
  • 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 8011-6446 available by request