3421-0001 Screening compound: 4,7-dimethyl-6-nitro-2H-chromen-2-one

3421-0001 Screening compound: 4,7-dimethyl-6-nitro-2H-chromen-2-one
3421-0001 Screening compound: 4,7-dimethyl-6-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3421-0001
4,7-dimethyl-6-nitro-2H-chromen-2-one

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

3421-0001

Molecular Formula

C11H9NO4 (C11 H9 NO4)

Compound Name

4,7-dimethyl-6-nitro-2H-chromen-2-one

IUPAC name

47-dimethyl-6-nitro-2H-chromen-2-one

SMILES

Cc(cc(c(C(C)=C1)c2)OC1=O)c2[N+]([O-])=O

InChI

InChI=1S/C11H9NO4/c1-6-4-11(13)16-10-3-7(2)9(12(14)15)5-8(6)10/h3-5H,1-2H3

InChI Key

LFBQEZTXFHKTPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.72

Polar Surface Area

53.726

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3421-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3421-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3421-0001?
Check Price and Availability of 3421-0001, 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 3421-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3421-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3421-0001
  • 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 3421-0001 available by request