3448-2773 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3448-2773 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3448-2773 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2773
2-amino-4-(2-ethoxyphenyl)-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

3448-2773

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C2C(C#N)=C(N)OC(CC(C)(C)C3)=C2C3=O)cccc1

InChI

InChI=1S/C20H22N2O3/c1-4-24-15-8-6-5-7-12(15)17-13(11-21)19(22)25-16-10-20(2,3)9-14(23)18(16)17/h5-8,17H,4,9-10,22H2,1-3H3/t17-/m1/s1

InChI Key

LPKCEIVINATHOU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02006274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.43

Polar Surface Area

66.812

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3448-2773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2773?
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What is the minimum amount of 3448-2773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2773
  • 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 3448-2773 available by request