8001-1328 Screening compound: 2-amino-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8001-1328 Screening compound: 2-amino-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8001-1328 Screening compound: 2-amino-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1328
2-amino-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-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

8001-1328

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

2-amino-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(25-dimethoxyphenyl)-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc(cc3)OC)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C20H22N2O4/c1-20(2)8-14(23)18-16(9-20)26-19(22)13(10-21)17(18)12-7-11(24-3)5-6-15(12)25-4/h5-7,17H,8-9,22H2,1-4H3/t17-/m1/s1

InChI Key

FYENFFUDMVVDQW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00543697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.26

Polar Surface Area

74.776

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8001-1328 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 8001-1328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1328?
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What is the minimum amount of 8001-1328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1328
  • 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 8001-1328 available by request