8017-9201 Screening compound: 1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

8017-9201 Screening compound: 1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
8017-9201 Screening compound: 1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9201
1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

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

8017-9201

Molecular Formula

C9H9N3O3 (C9 H9 N3 O3)

Compound Name

1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

146-trimethyl-5-nitro-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

CC(C([N+]([O-])=O)=C(C)N(C)C1=O)=C1C#N

InChI

InChI=1S/C9H9N3O3/c1-5-7(4-10)9(13)11(3)6(2)8(5)12(14)15/h1-3H3

InChI Key

ZCIBBWZPGAMQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-0.38

Polar Surface Area

66.235

Acid Dissociation Constant (pKa)

29.25

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8017-9201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9201?
Check Price and Availability of 8017-9201, 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 8017-9201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9201
  • 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 8017-9201 available by request