1866-0068 Screening compound: 2-amino-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

1866-0068 Screening compound: 2-amino-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
1866-0068 Screening compound: 2-amino-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1866-0068
2-amino-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

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

1866-0068

Molecular Formula

C19H11N3O5 (C19 H11 N3 O5)

Compound Name

2-amino-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

IUPAC name

2-amino-4-(2-nitrophenyl)-5-oxo-4H5H-pyrano[32-c]chromene-3-carbonitrile

SMILES

NC(OC(c(cccc1)c1O1)=C(C2c(cccc3)c3[N+]([O-])=O)C1=O)=C2C#N

InChI

InChI=1S/C19H11N3O5/c20-9-12-15(10-5-1-3-7-13(10)22(24)25)16-17(27-18(12)21)11-6-2-4-8-14(11)26-19(16)23/h1-8,15H,21H2/t15-/m1/s1

InChI Key

ZVKSQQNYRPFYOQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00551524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-3.10

Polar Surface Area

100.780

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 1866-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1866-0068?
Check Price and Availability of 1866-0068, 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 1866-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1866-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1866-0068
  • 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 1866-0068 available by request