2188-1691 Screening compound: 2-amino-4-cyclohexyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

2188-1691 Screening compound: 2-amino-4-cyclohexyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
2188-1691 Screening compound: 2-amino-4-cyclohexyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1691
2-amino-4-cyclohexyl-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

2188-1691

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

2-amino-4-cyclohexyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

IUPAC name

2-amino-4-cyclohexyl-5-oxo-4H5H-pyrano[32-c]chromene-3-carbonitrile

SMILES

NC(OC(c(cccc1)c1O1)=C(C2C3CCCCC3)C1=O)=C2C#N

InChI

InChI=1S/C19H18N2O3/c20-10-13-15(11-6-2-1-3-7-11)16-17(24-18(13)21)12-8-4-5-9-14(12)23-19(16)22/h4-5,8-9,11,15H,1-3,6-7,21H2/t15-/m1/s1

InChI Key

PQBYHZOKXQWYFX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01326038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.45

Polar Surface Area

67.892

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

2188-1691 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 2188-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1691?
Check Price and Availability of 2188-1691, 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 2188-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1691
  • 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 2188-1691 available by request