8018-3999 Screening compound: 4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-2,2'-[1,3]dioxolan]-3-ene-1,5-dicarbonitrile

8018-3999 Screening compound: 4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-2,2'-[1,3]dioxolan]-3-ene-1,5-dicarbonitrile
8018-3999 Screening compound: 4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-2,2'-[1,3]dioxolan]-3-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3999
4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-2,2'-[1,3]dioxolan]-3-ene-1,5-dicarbonitrile

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

8018-3999

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-2,2'-[1,3]dioxolan]-3-ene-1,5-dicarbonitrile

IUPAC name

4-amino-6-(4-ethoxy-3-methoxyphenyl)-3-azaspiro[bicyclo[3.1.0]hexane-22'-[13]dioxolan]-3-ene-15-dicarbonitrile

SMILES

CCOc(ccc(C(C1(C2(N=C3N)OCCO2)C#N)C13C#N)c1)c1OC

InChI

InChI=1S/C18H18N4O4/c1-3-24-12-5-4-11(8-13(12)23-2)14-16(9-19)15(21)22-18(17(14,16)10-20)25-6-7-26-18/h4-5,8,14H,3,6-7H2,1-2H3,(H2,21,22)

InChI Key

YMUZGCMAYSHVAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04097223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.298

Distribution Coefficient, logD

-1.877

Water Solubility, LogSw

-1.95

Polar Surface Area

97.769

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

10.57

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

8018-3999 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-3999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3999?
Check Price and Availability of 8018-3999, 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 8018-3999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3999
  • 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 8018-3999 available by request