8020-0829 Screening compound: 2-amino-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

8020-0829 Screening compound: 2-amino-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
8020-0829 Screening compound: 2-amino-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0829
2-amino-4-(4-chlorophenyl)-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

8020-0829

Molecular Formula

C20H13ClN2O (C20 H13 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

NC(Oc1c(C2c(cc3)ccc3Cl)ccc3ccccc13)=C2C#N

InChI

InChI=1S/C20H13ClN2O/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-10,18H,23H2/t18-/m0/s1

InChI Key

KGTZGCZETHHWSK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00238821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-5.45

Polar Surface Area

45.706

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

8020-0829 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8020-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0829?
Check Price and Availability of 8020-0829, 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 8020-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0829
  • 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 8020-0829 available by request