8001-1549 Screening compound: 2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4{H}-thiopyran-3,5-dicarbonitrile

8001-1549 Screening compound: 2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4{H}-thiopyran-3,5-dicarbonitrile
8001-1549 Screening compound: 2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4{H}-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1549
2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4{H}-thiopyran-3,5-dicarbonitrile

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

8001-1549

Molecular Formula

C15H13N5O4S (C15 H13 N5 O4 S)

Compound Name

2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4{H}-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-(34-dimethoxy-2-nitrophenyl)-4H-thiopyran-35-dicarbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)SC(N)=C1C#N)c1[N+]([O-])=O)c1OC

InChI

InChI=1S/C15H13N5O4S/c1-23-10-4-3-7(12(20(21)22)13(10)24-2)11-8(5-16)14(18)25-15(19)9(11)6-17/h3-4,11H,18-19H2,1-2H3

InChI Key

WNNKJEAPHLOFJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.617

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-2.07

Polar Surface Area

122.549

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8001-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1549?
Check Price and Availability of 8001-1549, 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 8001-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1549
  • 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 8001-1549 available by request