2188-1697 Screening compound: 2-amino-5-oxo-4-(2-phenylethyl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

2188-1697 Screening compound: 2-amino-5-oxo-4-(2-phenylethyl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
2188-1697 Screening compound: 2-amino-5-oxo-4-(2-phenylethyl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1697
2-amino-5-oxo-4-(2-phenylethyl)-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

2188-1697

Molecular Formula

C21H16N2O3 (C21 H16 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

NC(OC(c(cccc1)c1O1)=C(C2CCc3ccccc3)C1=O)=C2C#N

InChI

InChI=1S/C21H16N2O3/c22-12-16-14(11-10-13-6-2-1-3-7-13)18-19(26-20(16)23)15-8-4-5-9-17(15)25-21(18)24/h1-9,14H,10-11,23H2/t14-/m1/s1

InChI Key

KHPMGBSSLHRHRI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01454991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.64

Polar Surface Area

67.700

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

2188-1697 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 2188-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1697?
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What is the minimum amount of 2188-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1697
  • 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 2188-1697 available by request