S590-0693 Screening compound: 1-(2-FLUOROPHENYL)-N-({2-[(PYRIDIN-3-YL)METHYL]-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZIN-3-YL}METHYL)METHANESULFONAMIDE

S590-0693 Screening compound: 1-(2-FLUOROPHENYL)-N-({2-[(PYRIDIN-3-YL)METHYL]-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZIN-3-YL}METHYL)METHANESULFONAMIDE
S590-0693 Screening compound: 1-(2-FLUOROPHENYL)-N-({2-[(PYRIDIN-3-YL)METHYL]-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZIN-3-YL}METHYL)METHANESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S590-0693
1-(2-FLUOROPHENYL)-N-({2-[(PYRIDIN-3-YL)METHYL]-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZIN-3-YL}METHYL)METHANESULFONAMIDE

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

S590-0693

Molecular Formula

C21H23FN4O2S (C21 H23 FN4 O2 S)

Compound Name

1-(2-FLUOROPHENYL)-N-({2-[(PYRIDIN-3-YL)METHYL]-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZIN-3-YL}METHYL)METHANESULFONAMIDE

IUPAC name

n/a

SMILES

O=S(Cc(cccc1)c1F)(NCC1N(Cc2cnccc2)Cc2cccn2C1)=O

InChI

InChI=1S/C21H23FN4O2S/c22-21-8-2-1-6-18(21)16-29(27,28)24-12-20-15-25-10-4-7-19(25)14-26(20)13-17-5-3-9-23-11-17/h1-11,20,24H,12-16H2/t20-/m0/s1

InChI Key

WEELSHRUUDLPME-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31981600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.24

Polar Surface Area

59.125

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S590-0693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S590-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S590-0693?
Check Price and Availability of S590-0693, 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 S590-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S590-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S590-0693
  • 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 S590-0693 available by request