8008-2104 Screening compound: 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile

8008-2104 Screening compound: 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
8008-2104 Screening compound: 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2104
2-amino-7-hydroxy-4-phenyl-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

8008-2104

Molecular Formula

C16H12N2O2 (C16 H12 N2 O2)

Compound Name

2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile

IUPAC name

2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile

SMILES

NC(Oc1c(C2c3ccccc3)ccc(O)c1)=C2C#N

InChI

InChI=1S/C16H12N2O2/c17-9-13-15(10-4-2-1-3-5-10)12-7-6-11(19)8-14(12)20-16(13)18/h1-8,15,19H,18H2/t15-/m1/s1

InChI Key

CTILPMYYGZYYLB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00422177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.50

Polar Surface Area

63.911

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

8008-2104 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8008-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2104?
Check Price and Availability of 8008-2104, 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 8008-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2104
  • 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 8008-2104 available by request