C796-0612 Screening compound: N6-cycloheptyl-5,6-dimethyl-4-oxo-N2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C796-0612 Screening compound: N6-cycloheptyl-5,6-dimethyl-4-oxo-N2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
C796-0612 Screening compound: N6-cycloheptyl-5,6-dimethyl-4-oxo-N2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0612
N6-cycloheptyl-5,6-dimethyl-4-oxo-N2-(propan-2-yl)-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

C796-0612

Molecular Formula

C20H31N5O3 (C20 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c1nn(CC(C)(C(NC2CCCCCC2)=O)N(C)C2=O)c2c1)=O

InChI

InChI=1S/C20H31N5O3/c1-13(2)21-17(26)15-11-16-18(27)24(4)20(3,12-25(16)23-15)19(28)22-14-9-7-5-6-8-10-14/h11,13-14H,5-10,12H2,1-4H3,(H,21,26)(H,22,28)/t20-/m0/s1

InChI Key

MPWCUTTVCDCZDW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD26966385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.39

Polar Surface Area

77.498

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

C796-0612 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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 C796-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0612?
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What is the minimum amount of C796-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0612
  • 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 C796-0612 available by request