8015-2187 Screening compound: 2-amino-7,9-dimethyl-2',3',5',6'-tetrahydrospiro[pyrano[2',3':4,5]thieno[2,3-b]pyridine-4,4'-thiopyran]-3-carbonitrile

8015-2187 Screening compound: 2-amino-7,9-dimethyl-2',3',5',6'-tetrahydrospiro[pyrano[2',3':4,5]thieno[2,3-b]pyridine-4,4'-thiopyran]-3-carbonitrile
8015-2187 Screening compound: 2-amino-7,9-dimethyl-2',3',5',6'-tetrahydrospiro[pyrano[2',3':4,5]thieno[2,3-b]pyridine-4,4'-thiopyran]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2187
2-amino-7,9-dimethyl-2',3',5',6'-tetrahydrospiro[pyrano[2',3':4,5]thieno[2,3-b]pyridine-4,4'-thiopyran]-3-carbonitrile

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

8015-2187

Molecular Formula

C17H17N3OS2 (C17 H17 N3 OS2)

Compound Name

2-amino-7,9-dimethyl-2',3',5',6'-tetrahydrospiro[pyrano[2',3':4,5]thieno[2,3-b]pyridine-4,4'-thiopyran]-3-carbonitrile

IUPAC name

4'-amino-11'13'-dimethyl-3'-oxa-8'-thia-10'-azaspiro[thiane-46'-tricyclo[7.4.0.0^{27}]tridecane]-1'(9')2'(7')4'10'12'-pentaene-5'-carbonitrile

SMILES

Cc1cc(C)nc2c1c(OC(N)=C(C13CCSCC3)C#N)c1s2

InChI

InChI=1S/C17H17N3OS2/c1-9-7-10(2)20-16-12(9)13-14(23-16)17(3-5-22-6-4-17)11(8-18)15(19)21-13/h7H,3-6,19H2,1-2H3

InChI Key

YMUACQGRPFSCTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-3.40

Polar Surface Area

55.697

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8015-2187 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2187?
Check Price and Availability of 8015-2187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2187
  • 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 8015-2187 available by request