0206-0027 Screening compound: 4-(benzylamino)-3-nitro-2H-chromen-2-one

0206-0027 Screening compound: 4-(benzylamino)-3-nitro-2H-chromen-2-one
0206-0027 Screening compound: 4-(benzylamino)-3-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0206-0027
4-(benzylamino)-3-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

0206-0027

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

4-(benzylamino)-3-nitro-2H-chromen-2-one

IUPAC name

4-(benzylamino)-3-nitro-2H-chromen-2-one

SMILES

[O-][N+](C(C(Oc1c2cccc1)=O)=C2NCc1ccccc1)=O

InChI

InChI=1S/C16H12N2O4/c19-16-15(18(20)21)14(12-8-4-5-9-13(12)22-16)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2

InChI Key

DLBIJZSVHCCMOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-3.20

Polar Surface Area

64.893

Acid Dissociation Constant (pKa)

5.95

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0206-0027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0206-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0206-0027?
Check Price and Availability of 0206-0027, 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 0206-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0206-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0206-0027
  • 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 0206-0027 available by request