E514-0487 Screening compound: 2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(4-ethylphenyl)acetamide

E514-0487 Screening compound: 2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(4-ethylphenyl)acetamide
E514-0487 Screening compound: 2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0487
2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(4-ethylphenyl)acetamide

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

E514-0487

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

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

IUPAC name

2-({412-dimethyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSc1nnc(C)n2c1cc1c2cc(C)o1)=O

InChI

InChI=1S/C20H20N4O2S/c1-4-14-5-7-15(8-6-14)21-19(25)11-27-20-17-10-18-16(9-12(2)26-18)24(17)13(3)22-23-20/h5-10H,4,11H2,1-3H3,(H,21,25)

InChI Key

OVJPTYOJMOTSTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

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

3.962

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-3.86

Polar Surface Area

52.231

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E514-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0487?
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What is the minimum amount of E514-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0487
  • 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 E514-0487 available by request