3453-2425 Screening compound: 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

3453-2425 Screening compound: 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
3453-2425 Screening compound: 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-2425
3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-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

3453-2425

Molecular Formula

C21H16N2O2 (C21 H16 N2 O2)

Compound Name

3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

IUPAC name

3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

SMILES

COc1ccc(C2C(C#N)=C(N)Oc3c2c2ccccc2cc3)cc1

InChI

InChI=1S/C21H16N2O2/c1-24-15-9-6-14(7-10-15)19-17(12-22)21(23)25-18-11-8-13-4-2-3-5-16(13)20(18)19/h2-11,19H,23H2,1H3/t19-/m0/s1

InChI Key

UPDJOFFFOYXSJF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00715889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.45

Polar Surface Area

53.566

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3453-2425 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 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 3453-2425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-2425?
Check Price and Availability of 3453-2425, 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 3453-2425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-2425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-2425
  • 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 3453-2425 available by request