0284-0032 Screening compound: 2-amino-4-(4-hydroxyphenyl)-3,4,4a,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile

0284-0032 Screening compound: 2-amino-4-(4-hydroxyphenyl)-3,4,4a,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile
0284-0032 Screening compound: 2-amino-4-(4-hydroxyphenyl)-3,4,4a,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0284-0032
2-amino-4-(4-hydroxyphenyl)-3,4,4a,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile

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

0284-0032

Molecular Formula

C19H16N4O (C19 H16 N4 O)

Compound Name

2-amino-4-(4-hydroxyphenyl)-3,4,4a,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile

IUPAC name

2-amino-4-(4-hydroxyphenyl)-344a567-hexahydronaphthalene-133-tricarbonitrile

SMILES

NC(C(C(C1C2=CCCC1)c(cc1)ccc1O)(C#N)C#N)=C2C#N

InChI

InChI=1S/C19H16N4O/c20-9-16-14-3-1-2-4-15(14)17(12-5-7-13(24)8-6-12)19(10-21,11-22)18(16)23/h3,5-8,15,17,24H,1-2,4,23H2

InChI Key

ZOCRMFXOQMNDGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00389797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.27

Polar Surface Area

89.972

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 0284-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0284-0032?
Check Price and Availability of 0284-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0284-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0284-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0284-0032
  • 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 0284-0032 available by request