E514-0702 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-mesitylacetamide

E514-0702 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-mesitylacetamide
E514-0702 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0702
2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-mesitylacetamide

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

E514-0702

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-mesitylacetamide

IUPAC name

2-({12-ethyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-(246-trimethylphenyl)acetamide

SMILES

CCc(n1c2cc3c1cco3)nnc2SCC(Nc1c(C)cc(C)cc1C)=O

InChI

InChI=1S/C21H22N4O2S/c1-5-18-23-24-21(16-10-17-15(25(16)18)6-7-27-17)28-11-19(26)22-20-13(3)8-12(2)9-14(20)4/h6-10H,5,11H2,1-4H3,(H,22,26)

InChI Key

DTIXEDXGAAOKKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.68

Polar Surface Area

51.521

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E514-0702 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E514-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0702?
Check Price and Availability of E514-0702, 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 E514-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0702
  • 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 E514-0702 available by request