3966-1087 Screening compound: 6-amino-3,3-dimethyl-8-sulfanylidene-1H,3H,4H,8H-thiopyrano[3,4-c]pyran-5-carbonitrile

3966-1087 Screening compound: 6-amino-3,3-dimethyl-8-sulfanylidene-1H,3H,4H,8H-thiopyrano[3,4-c]pyran-5-carbonitrile
3966-1087 Screening compound: 6-amino-3,3-dimethyl-8-sulfanylidene-1H,3H,4H,8H-thiopyrano[3,4-c]pyran-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1087
6-amino-3,3-dimethyl-8-sulfanylidene-1H,3H,4H,8H-thiopyrano[3,4-c]pyran-5-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

3966-1087

Molecular Formula

C11H12N2OS2 (C11 H12 N2 OS2)

Compound Name

6-amino-3,3-dimethyl-8-sulfanylidene-1H,3H,4H,8H-thiopyrano[3,4-c]pyran-5-carbonitrile

IUPAC name

6-amino-33-dimethyl-8-sulfanylidene-1H3H4H8H-thiopyrano[34-c]pyran-5-carbonitrile

SMILES

CC(C)(C1)OCC2=C1C(C#N)=C(N)SC2=S

InChI

InChI=1S/C11H12N2OS2/c1-11(2)3-6-7(4-12)9(13)16-10(15)8(6)5-14-11/h3,5,13H2,1-2H3

InChI Key

TZABRSKNZQQCGP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.03

Polar Surface Area

45.180

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3966-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1087?
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What is the minimum amount of 3966-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1087
  • 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 3966-1087 available by request