S434-0707 Screening compound: ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-amido]piperidine-1-carboxylate

S434-0707 Screening compound: ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-amido]piperidine-1-carboxylate
S434-0707 Screening compound: ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S434-0707
ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-amido]piperidine-1-carboxylate

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

S434-0707

Molecular Formula

C20H28N6O3 (C20 H28 N6 O3)

Compound Name

ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[6-methyl-4-(pyrrolidin-1-yl)pyrazolo[15-a]pyrazine-2-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1nn(cc(C)nc2N3CCCC3)c2c1)=O)=O

InChI

InChI=1S/C20H28N6O3/c1-3-29-20(28)25-10-6-15(7-11-25)22-19(27)16-12-17-18(24-8-4-5-9-24)21-14(2)13-26(17)23-16/h12-13,15H,3-11H2,1-2H3,(H,22,27)

InChI Key

VJMMSWUBFJQVIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.50

Polar Surface Area

70.098

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S434-0707 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S434-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S434-0707?
Check Price and Availability of S434-0707, 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 S434-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S434-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S434-0707
  • 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 S434-0707 available by request