2722-0050 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile

2722-0050 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile
2722-0050 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2722-0050
2-{[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile

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

2722-0050

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile

IUPAC name

2-{[2-(34-dimethoxyphenyl)-4-(2-methylphenyl)-4H-chromen-3-yl]methylidene}propanedinitrile

SMILES

Cc1c(C2c(cccc3)c3OC(c(cc3)cc(OC)c3OC)=C2C=C(C#N)C#N)cccc1

InChI

InChI=1S/C28H22N2O3/c1-18-8-4-5-9-21(18)27-22-10-6-7-11-24(22)33-28(23(27)14-19(16-29)17-30)20-12-13-25(31-2)26(15-20)32-3/h4-15,27H,1-3H3/t27-/m1/s1

InChI Key

NAZFWSLMQRWJOA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD00838196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.597

Distribution Coefficient, logD

5.597

Water Solubility, LogSw

-5.62

Polar Surface Area

56.233

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

2722-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2722-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2722-0050?
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What is the minimum amount of 2722-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2722-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2722-0050
  • 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 2722-0050 available by request