E223-1396 Screening compound: N-(tert-butyl)-5-(3-fluorobenzyl)-6-methyl-4-oxo-2-(2-thienyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide

E223-1396 Screening compound: N-(tert-butyl)-5-(3-fluorobenzyl)-6-methyl-4-oxo-2-(2-thienyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
E223-1396 Screening compound: N-(tert-butyl)-5-(3-fluorobenzyl)-6-methyl-4-oxo-2-(2-thienyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E223-1396
N-(tert-butyl)-5-(3-fluorobenzyl)-6-methyl-4-oxo-2-(2-thienyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide

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

E223-1396

Molecular Formula

C23H25FN4O2S (C23 H25 FN4 O2 S)

Compound Name

N-(tert-butyl)-5-(3-fluorobenzyl)-6-methyl-4-oxo-2-(2-thienyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

N-tert-butyl-5-[(3-fluorophenyl)methyl]-6-methyl-4-oxo-2-(thiophen-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(C)(C)NC(C(C)(Cn(c1c2)nc2-c2cccs2)N(Cc2cc(F)ccc2)C1=O)=O

InChI

InChI=1S/C23H25FN4O2S/c1-22(2,3)25-21(30)23(4)14-28-18(12-17(26-28)19-9-6-10-31-19)20(29)27(23)13-15-7-5-8-16(24)11-15/h5-12H,13-14H2,1-4H3,(H,25,30)/t23-/m0/s1

InChI Key

MKWAJLMTYMSSMH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27598218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.36

Polar Surface Area

53.587

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

E223-1396 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Hsp90-Targeted Library (11355 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E223-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E223-1396?
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What is the minimum amount of E223-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E223-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E223-1396
  • 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 E223-1396 available by request