3718-0085 Screening compound: 2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3718-0085 Screening compound: 2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3718-0085 Screening compound: 2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3718-0085
2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-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

3718-0085

Molecular Formula

C24H23N3O2 (C24 H23 N3 O2)

Compound Name

2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CN(C)c1ccc(C2C(C#N)=C(N)OC(CC(C3)c4ccccc4)=C2C3=O)cc1

InChI

InChI=1S/C24H23N3O2/c1-27(2)18-10-8-16(9-11-18)22-19(14-25)24(26)29-21-13-17(12-20(28)23(21)22)15-6-4-3-5-7-15/h3-11,17,22H,12-13,26H2,1-2H3

InChI Key

QCICHUASHJMQIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.10

Polar Surface Area

62.135

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3718-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3718-0085?
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What is the minimum amount of 3718-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3718-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3718-0085
  • 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 3718-0085 available by request