E852-3181 Screening compound: 5,6-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-3181 Screening compound: 5,6-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-3181 Screening compound: 5,6-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-3181
5,6-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-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

E852-3181

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

5,6-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

56-dimethyl-N6-[(4-methylphenyl)methyl]-4-oxo-N2-[(thiophen-2-yl)methyl]-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(Cn(c1c2)nc2C(NCc2cccs2)=O)(C(NCc2ccc(C)cc2)=O)N(C)C1=O

InChI

InChI=1S/C23H25N5O3S/c1-15-6-8-16(9-7-15)12-25-22(31)23(2)14-28-19(21(30)27(23)3)11-18(26-28)20(29)24-13-17-5-4-10-32-17/h4-11H,12-14H2,1-3H3,(H,24,29)(H,25,31)/t23-/m0/s1

InChI Key

NZBGZXYMRLELJY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14922218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.85

Polar Surface Area

79.214

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

E852-3181 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E852-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-3181?
Check Price and Availability of E852-3181, 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 E852-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-3181
  • 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 E852-3181 available by request