S531-0670 Screening compound: 2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

S531-0670 Screening compound: 2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
S531-0670 Screening compound: 2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0670
2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-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

S531-0670

Molecular Formula

C24H32N4O2 (C24 H32 N4 O2)

Compound Name

2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

2-benzyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CN(CCNC(C(Cn1c2ccc1)N(Cc1ccccc1)C2=O)=O)C1CCCCC1

InChI

InChI=1S/C24H32N4O2/c1-26(20-11-6-3-7-12-20)16-14-25-23(29)22-18-27-15-8-13-21(27)24(30)28(22)17-19-9-4-2-5-10-19/h2,4-5,8-10,13,15,20,22H,3,6-7,11-12,14,16-18H2,1H3,(H,25,29)/t22-/m0/s1

InChI Key

DNCPIQZYEIDMJX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29008611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-3.05

Polar Surface Area

45.825

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S531-0670 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S531-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0670?
Check Price and Availability of S531-0670, 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 S531-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0670
  • 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 S531-0670 available by request