E016-0323 Screening compound: ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl}piperidine-3-carboxylate

E016-0323 Screening compound: ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl}piperidine-3-carboxylate
E016-0323 Screening compound: ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0323
ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl}piperidine-3-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

E016-0323

Molecular Formula

C19H21N5O4S (C19 H21 N5 O4 S)

Compound Name

ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CN(C(c1c2)=O)N=Cn1nc2-c1cccs1)=O)=O

InChI

InChI=1S/C19H21N5O4S/c1-2-28-19(27)13-5-3-7-22(10-13)17(25)11-23-18(26)15-9-14(16-6-4-8-29-16)21-24(15)12-20-23/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3/t13-/m0/s1

InChI Key

OMFHVSUHGVBZDK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14838611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.106

Distribution Coefficient, logD

1.106

Water Solubility, LogSw

-2.37

Polar Surface Area

80.243

Acid Dissociation Constant (pKa)

16.98

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

E016-0323 in Drug Discovery

Included in Screening Libraries

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

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 E016-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0323?
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What is the minimum amount of E016-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0323
  • 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 E016-0323 available by request