E514-0807 Screening compound: N~1~-allyl-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenylacetamide

E514-0807 Screening compound: N~1~-allyl-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenylacetamide
E514-0807 Screening compound: N~1~-allyl-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0807
N~1~-allyl-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenylacetamide

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

E514-0807

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

N~1~-allyl-2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenylacetamide

IUPAC name

2-({12-ethyl-4-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide

SMILES

CCc(n1c2cc3c1cc(C)o3)nnc2SCC(N(CC=C)c1ccccc1)=O

InChI

InChI=1S/C22H22N4O2S/c1-4-11-25(16-9-7-6-8-10-16)21(27)14-29-22-18-13-19-17(12-15(3)28-19)26(18)20(5-2)23-24-22/h4,6-10,12-13H,1,5,11,14H2,2-3H3

InChI Key

AUXAUQKTAZIXKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.17

Polar Surface Area

44.626

Acid Dissociation Constant (pKa)

19.05

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E514-0807 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E514-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0807?
Check Price and Availability of E514-0807, 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 E514-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0807
  • 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 E514-0807 available by request