E852-0676 Screening compound: N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-0676 Screening compound: N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-0676 Screening compound: N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-0676
N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

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

E852-0676

Molecular Formula

C26H42N6O3 (C26 H42 N6 O3)

Compound Name

N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N2-[3-(azepan-1-yl)propyl]-N6-cycloheptyl-56-dimethyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(Cn(c1c2)nc2C(NCCCN2CCCCCC2)=O)(C(NC2CCCCCC2)=O)N(C)C1=O

InChI

InChI=1S/C26H42N6O3/c1-26(25(35)28-20-12-7-3-4-8-13-20)19-32-22(24(34)30(26)2)18-21(29-32)23(33)27-14-11-17-31-15-9-5-6-10-16-31/h18,20H,3-17,19H2,1-2H3,(H,27,33)(H,28,35)/t26-/m0/s1

InChI Key

KQUKWCKFBPNCQF-SANMLTNESA-N

MDL Number (MFCD)

MFCD14922005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

0.054

Water Solubility, LogSw

-2.77

Polar Surface Area

82.407

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.90

E852-0676 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E852-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-0676?
Check Price and Availability of E852-0676, 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 E852-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-0676
  • 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 E852-0676 available by request