8006-0942 Screening compound: 4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide

8006-0942 Screening compound: 4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide
8006-0942 Screening compound: 4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0942
4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide

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

8006-0942

Molecular Formula

C14H12N2O4 (C14 H12 N2 O4)

Compound Name

4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide

IUPAC name

7-amino-1111-dimethyl-35-dioxo-412-dioxatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)7-triene-8-carbonitrile

SMILES

CC(C)(Cc1c(c(N)c2C(O3)=O)C#N)OCc1c2C3=O

InChI

InChI=1S/C14H12N2O4/c1-14(2)3-6-7(4-15)11(16)10-9(8(6)5-19-14)12(17)20-13(10)18/h3,5,16H2,1-2H3

InChI Key

HIFPDOZLKICRAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.403

Distribution Coefficient, logD

1.403

Water Solubility, LogSw

-1.07

Polar Surface Area

79.423

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8006-0942 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0942?
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What is the minimum amount of 8006-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0942
  • 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 8006-0942 available by request