E852-1062 Screening compound: N2-butyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-1062 Screening compound: N2-butyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-1062 Screening compound: N2-butyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-1062
N2-butyl-5,6-dimethyl-N6-(3-methylbutyl)-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

E852-1062

Molecular Formula

C19H31N5O3 (C19 H31 N5 O3)

Compound Name

N2-butyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N2-butyl-56-dimethyl-N6-(3-methylbutyl)-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CCCCNC(c1nn(CC(C)(C(NCCC(C)C)=O)N(C)C2=O)c2c1)=O

InChI

InChI=1S/C19H31N5O3/c1-6-7-9-20-16(25)14-11-15-17(26)23(5)19(4,12-24(15)22-14)18(27)21-10-8-13(2)3/h11,13H,6-10,12H2,1-5H3,(H,20,25)(H,21,27)/t19-/m0/s1

InChI Key

VOZDYMPHFUTBBI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14922055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-2.11

Polar Surface Area

78.422

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

E852-1062 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E852-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-1062?
Check Price and Availability of E852-1062, 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 E852-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-1062
  • 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 E852-1062 available by request