8002-5902 Screening compound: 2-amino-4-(2-furyl)-7-hydroxy-6-{[(4-methoxyphenyl)imino]methyl}-4H-chromen-3-yl cyanide

8002-5902 Screening compound: 2-amino-4-(2-furyl)-7-hydroxy-6-{[(4-methoxyphenyl)imino]methyl}-4H-chromen-3-yl cyanide
8002-5902 Screening compound: 2-amino-4-(2-furyl)-7-hydroxy-6-{[(4-methoxyphenyl)imino]methyl}-4H-chromen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5902
2-amino-4-(2-furyl)-7-hydroxy-6-{[(4-methoxyphenyl)imino]methyl}-4H-chromen-3-yl cyanide

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

8002-5902

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

2-amino-4-(2-furyl)-7-hydroxy-6-{[(4-methoxyphenyl)imino]methyl}-4H-chromen-3-yl cyanide

IUPAC name

2-amino-4-(furan-2-yl)-7-hydroxy-6-[(E)-[(4-methoxyphenyl)imino]methyl]-4H-chromene-3-carbonitrile

SMILES

COc(cc1)ccc1/N=C/c(c(O)c1)cc(C2c3ccco3)c1OC(N)=C2C#N

InChI

InChI=1S/C22H17N3O4/c1-27-15-6-4-14(5-7-15)25-12-13-9-16-20(10-18(13)26)29-22(24)17(11-23)21(16)19-3-2-8-28-19/h2-10,12,21,26H,24H2,1H3/t21-/m1/s1

InChI Key

HDKJRCVJULMZKR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00580909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.17

Polar Surface Area

87.091

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.09

8002-5902 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8002-5902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5902?
Check Price and Availability of 8002-5902, 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 8002-5902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5902
  • 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 8002-5902 available by request