E020-0005 Screening compound: ethyl 1-(2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetyl)piperidine-4-carboxylate

E020-0005 Screening compound: ethyl 1-(2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetyl)piperidine-4-carboxylate
E020-0005 Screening compound: ethyl 1-(2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0005
ethyl 1-(2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetyl)piperidine-4-carboxylate

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

E020-0005

Molecular Formula

C16H20N4O4 (C16 H20 N4 O4)

Compound Name

ethyl 1-(2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN(C1=O)N=Cn2c1ccc2)=O)=O

InChI

InChI=1S/C16H20N4O4/c1-2-24-16(23)12-5-8-18(9-6-12)14(21)10-20-15(22)13-4-3-7-19(13)11-17-20/h3-4,7,11-12H,2,5-6,8-10H2,1H3

InChI Key

ANIIVRHPHNBRIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.323

Distribution Coefficient, logD

0.323

Water Solubility, LogSw

-1.38

Polar Surface Area

68.597

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E020-0005 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E020-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0005?
Check Price and Availability of E020-0005, 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 E020-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0005
  • 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 E020-0005 available by request