8003-0389 Screening compound: 2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8003-0389 Screening compound: 2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8003-0389 Screening compound: 2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0389
2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-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

8003-0389

Molecular Formula

C17H18N2O3 (C17 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(OC(N)=C(C2c3ccc(C)o3)C#N)=C2C1=O

InChI

InChI=1S/C17H18N2O3/c1-9-4-5-12(21-9)14-10(8-18)16(19)22-13-7-17(2,3)6-11(20)15(13)14/h4-5,14H,6-7,19H2,1-3H3/t14-/m0/s1

InChI Key

PCQNNGXTXMGJNU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00742738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-2.50

Polar Surface Area

67.695

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8003-0389 in Drug Discovery

Included in Screening Libraries

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 8003-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0389?
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What is the minimum amount of 8003-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0389
  • 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 8003-0389 available by request