0655-0268 Screening compound: 4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate

0655-0268 Screening compound: 4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate
0655-0268 Screening compound: 4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0655-0268
4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate

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

0655-0268

Molecular Formula

C15H12N4O2S (C15 H12 N4 O2 S)

Compound Name

4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate

IUPAC name

4-(26-diamino-35-dicyano-4H-thiopyran-4-yl)phenyl acetate

SMILES

CC(Oc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1)=O

InChI

InChI=1S/C15H12N4O2S/c1-8(20)21-10-4-2-9(3-5-10)13-11(6-16)14(18)22-15(19)12(13)7-17/h2-5,13H,18-19H2,1H3

InChI Key

NTIPTWGONIRYNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00404954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

0.970

Water Solubility, LogSw

-1.97

Polar Surface Area

95.173

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 0655-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0655-0268?
Check Price and Availability of 0655-0268, 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 0655-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0655-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0655-0268
  • 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 0655-0268 available by request