E852-1157 Screening compound: 5,6-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E852-1157 Screening compound: 5,6-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E852-1157 Screening compound: 5,6-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-1157
5,6-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H,5H,6H,7H-pyrazolo[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

E852-1157

Molecular Formula

C19H29N5O4 (C19 H29 N5 O4)

Compound Name

5,6-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

56-dimethyl-N-(3-methylbutyl)-2-(morpholine-4-carbonyl)-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(C)CCNC(C(C)(Cn(c1c2)nc2C(N2CCOCC2)=O)N(C)C1=O)=O

InChI

InChI=1S/C19H29N5O4/c1-13(2)5-6-20-18(27)19(3)12-24-15(17(26)22(19)4)11-14(21-24)16(25)23-7-9-28-10-8-23/h11,13H,5-10,12H2,1-4H3,(H,20,27)/t19-/m0/s1

InChI Key

PJBMIQKMLLDNBK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27602347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.356

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-1.57

Polar Surface Area

78.452

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

E852-1157 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E852-1157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-1157?
Check Price and Availability of E852-1157, 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 E852-1157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-1157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-1157
  • 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 E852-1157 available by request