8020-4817 Screening compound: 2-amino-7-(diethylamino)-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile

8020-4817 Screening compound: 2-amino-7-(diethylamino)-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile
8020-4817 Screening compound: 2-amino-7-(diethylamino)-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4817
2-amino-7-(diethylamino)-4-(3,4-dimethoxyphenyl)-4H-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

8020-4817

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

2-amino-7-(diethylamino)-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile

IUPAC name

2-amino-7-(diethylamino)-4-(34-dimethoxyphenyl)-4H-chromene-3-carbonitrile

SMILES

CCN(CC)c1cc(OC(N)=C(C2c(cc3)cc(OC)c3OC)C#N)c2cc1

InChI

InChI=1S/C22H25N3O3/c1-5-25(6-2)15-8-9-16-19(12-15)28-22(24)17(13-23)21(16)14-7-10-18(26-3)20(11-14)27-4/h7-12,21H,5-6,24H2,1-4H3/t21-/m1/s1

InChI Key

BQILMLZAHGVBNM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD16555517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.64

Polar Surface Area

64.291

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

8020-4817 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 8020-4817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4817?
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What is the minimum amount of 8020-4817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4817
  • 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 8020-4817 available by request