8020-0830 Screening compound: 2-amino-4-(pyridin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

8020-0830 Screening compound: 2-amino-4-(pyridin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
8020-0830 Screening compound: 2-amino-4-(pyridin-3-yl)-4H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0830
2-amino-4-(pyridin-3-yl)-4H-benzo[h]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

8020-0830

Molecular Formula

C19H13N3O (C19 H13 N3 O)

Compound Name

2-amino-4-(pyridin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

IUPAC name

2-amino-4-(pyridin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

SMILES

NC(Oc1c(C2c3cnccc3)ccc3ccccc13)=C2C#N

InChI

InChI=1S/C19H13N3O/c20-10-16-17(13-5-3-9-22-11-13)15-8-7-12-4-1-2-6-14(12)18(15)23-19(16)21/h1-9,11,17H,21H2/t17-/m1/s1

InChI Key

ARVOWROWLBHVLB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01100975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.31

Polar Surface Area

55.224

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

8020-0830 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0830?
Check Price and Availability of 8020-0830, 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 8020-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0830
  • 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 8020-0830 available by request