S064-0552 Screening compound: N,6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

S064-0552 Screening compound: N,6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
S064-0552 Screening compound: N,6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0552
N,6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

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

S064-0552

Molecular Formula

C19H25N5O2 (C19 H25 N5 O2)

Compound Name

N,6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

IUPAC name

N6-dimethyl-N-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

SMILES

CCCOc1nccnc1N(CC1)CC1N(C)C(c1cnc(C)cc1)=O

InChI

InChI=1S/C19H25N5O2/c1-4-11-26-18-17(20-8-9-21-18)24-10-7-16(13-24)23(3)19(25)15-6-5-14(2)22-12-15/h5-6,8-9,12,16H,4,7,10-11,13H2,1-3H3/t16-/m0/s1

InChI Key

XQLKHNFZHHFLNU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29031000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.23

Polar Surface Area

54.148

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

S064-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S064-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0552?
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What is the minimum amount of S064-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0552
  • 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 S064-0552 available by request