8004-3959 Screening compound: 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,1'-cyclopentane]-3-carbonitrile

8004-3959 Screening compound: 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,1'-cyclopentane]-3-carbonitrile
8004-3959 Screening compound: 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,1'-cyclopentane]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3959
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,1'-cyclopentane]-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

8004-3959

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,1'-cyclopentane]-3-carbonitrile

IUPAC name

2-amino-77-dimethyl-5-oxo-5678-tetrahydrospiro[chromene-41'-cyclopentane]-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C23CCCC3)C#N)=C2C1=O

InChI

InChI=1S/C16H20N2O2/c1-15(2)7-11(19)13-12(8-15)20-14(18)10(9-17)16(13)5-3-4-6-16/h3-8,18H2,1-2H3

InChI Key

QQJVULBHWVKADA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.784

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-1.73

Polar Surface Area

60.160

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8004-3959 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3959?
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What is the minimum amount of 8004-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3959
  • 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 8004-3959 available by request