E852-1057 Screening compound: N2-[(2-bromophenyl)methyl]-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-1057 Screening compound: N2-[(2-bromophenyl)methyl]-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-1057 Screening compound: N2-[(2-bromophenyl)methyl]-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 E852-1057
N2-[(2-bromophenyl)methyl]-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

E852-1057

Molecular Formula

C22H28BrN5O3 (C22 H28 BrN5 O3)

Compound Name

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

IUPAC name

N2-[(2-bromophenyl)methyl]-56-dimethyl-N6-(3-methylbutyl)-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(C)CCNC(C(C)(Cn(c1c2)nc2C(NCc(cccc2)c2Br)=O)N(C)C1=O)=O

InChI

InChI=1S/C22H28BrN5O3/c1-14(2)9-10-24-21(31)22(3)13-28-18(20(30)27(22)4)11-17(26-28)19(29)25-12-15-7-5-6-8-16(15)23/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,24,31)(H,25,29)/t22-/m0/s1

InChI Key

IZHLSWUBEDGLDK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14922054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.26

Polar Surface Area

78.309

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

E852-1057 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 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 E852-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-1057?
Check Price and Availability of E852-1057, 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 E852-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-1057
  • 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 E852-1057 available by request