5300-0264 Screening compound: ethyl 3-({4-amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl}amino)benzoate

5300-0264 Screening compound: ethyl 3-({4-amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl}amino)benzoate
5300-0264 Screening compound: ethyl 3-({4-amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5300-0264
ethyl 3-({4-amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl}amino)benzoate

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

5300-0264

Molecular Formula

C17H23N5O2 (C17 H23 N5 O2)

Compound Name

ethyl 3-({4-amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl}amino)benzoate

IUPAC name

ethyl 3-({4-amino-135-triazaspiro[5.5]undeca-24-dien-2-yl}amino)benzoate

SMILES

CCOC(c1cc(NC2=NC(N)=NC3(CCCCC3)N2)ccc1)=O

InChI

InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)

InChI Key

IQDAWMWSGXPSNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

-1.048

Water Solubility, LogSw

-3.29

Polar Surface Area

83.639

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

11.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

5300-0264 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5300-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5300-0264?
Check Price and Availability of 5300-0264, 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 5300-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5300-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5300-0264
  • 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 5300-0264 available by request