S582-0065 Screening compound: 1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)urea

S582-0065 Screening compound: 1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)urea
S582-0065 Screening compound: 1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0065
1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)urea

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

S582-0065

Molecular Formula

C16H17FN4O2 (C16 H17 FN4 O2)

Compound Name

1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)urea

IUPAC name

1-(2-fluorophenyl)-3-({2-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)urea

SMILES

CN(C(CNC(Nc(cccc1)c1F)=O)Cn1c2ccc1)C2=O

InChI

InChI=1S/C16H17FN4O2/c1-20-11(10-21-8-4-7-14(21)15(20)22)9-18-16(23)19-13-6-3-2-5-12(13)17/h2-8,11H,9-10H2,1H3,(H2,18,19,23)/t11-/m0/s1

InChI Key

GEWNPSCFDSYDGP-NSHDSACASA-N

MDL Number (MFCD)

MFCD31984400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.493

Water Solubility, LogSw

-1.95

Polar Surface Area

51.449

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S582-0065 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S582-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0065?
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What is the minimum amount of S582-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0065
  • 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 S582-0065 available by request