E852-1030 Screening compound: N2-[2-(1H-indol-3-yl)ethyl]-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-1030 Screening compound: N2-[2-(1H-indol-3-yl)ethyl]-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-1030 Screening compound: N2-[2-(1H-indol-3-yl)ethyl]-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 E852-1030
N2-[2-(1H-indol-3-yl)ethyl]-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

E852-1030

Molecular Formula

C25H32N6O3 (C25 H32 N6 O3)

Compound Name

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

IUPAC name

N2-[2-(1H-indol-3-yl)ethyl]-56-dimethyl-N6-(3-methylbutyl)-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(C)CCNC(C(C)(Cn(c1c2)nc2C(NCCc2c[nH]c3c2cccc3)=O)N(C)C1=O)=O

InChI

InChI=1S/C25H32N6O3/c1-16(2)9-11-27-24(34)25(3)15-31-21(23(33)30(25)4)13-20(29-31)22(32)26-12-10-17-14-28-19-8-6-5-7-18(17)19/h5-8,13-14,16,28H,9-12,15H2,1-4H3,(H,26,32)(H,27,34)/t25-/m0/s1

InChI Key

DMXBTASQAORIBV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14922049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.00

Polar Surface Area

88.021

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E852-1030 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)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E852-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-1030?
Check Price and Availability of E852-1030, 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 E852-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-1030
  • 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 E852-1030 available by request