8003-3600 Screening compound: 5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carbonitrile

8003-3600 Screening compound: 5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carbonitrile
8003-3600 Screening compound: 5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3600
5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-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

8003-3600

Molecular Formula

C16H16N2O2S (C16 H16 N2 O2 S)

Compound Name

5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carbonitrile

IUPAC name

5-acetyl-2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carbonitrile

SMILES

CC(C(C1c(cc2)ccc2SC)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C16H16N2O2S/c1-9(19)14-10(2)20-16(18)13(8-17)15(14)11-4-6-12(21-3)7-5-11/h4-7,15H,18H2,1-3H3/t15-/m1/s1

InChI Key

DMEJXBMSWCHQFV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00743578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.65

Polar Surface Area

60.519

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8003-3600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3600?
Check Price and Availability of 8003-3600, 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 8003-3600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3600
  • 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 8003-3600 available by request