4979-2388 Screening compound: 2-amino-4-cyclohexyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

4979-2388 Screening compound: 2-amino-4-cyclohexyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
4979-2388 Screening compound: 2-amino-4-cyclohexyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4979-2388
2-amino-4-cyclohexyl-5-oxo-5,6,7,8-tetrahydro-4H-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

4979-2388

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

2-amino-4-cyclohexyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-cyclohexyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

NC(OC(CCC1)=C(C2C3CCCCC3)C1=O)=C2C#N

InChI

InChI=1S/C16H20N2O2/c17-9-11-14(10-5-2-1-3-6-10)15-12(19)7-4-8-13(15)20-16(11)18/h10,14H,1-8,18H2/t14-/m1/s1

InChI Key

GALICDPMBCJAIE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01162259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.054

Water Solubility, LogSw

-2.14

Polar Surface Area

59.794

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 4979-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4979-2388?
Check Price and Availability of 4979-2388, 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 4979-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4979-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4979-2388
  • 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 4979-2388 available by request