S064-0674 Screening compound: N'-benzyl-N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N-methylurea

S064-0674 Screening compound: N'-benzyl-N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N-methylurea
S064-0674 Screening compound: N'-benzyl-N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0674
N'-benzyl-N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N-methylurea

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

S064-0674

Molecular Formula

C19H25N5O2 (C19 H25 N5 O2)

Compound Name

N'-benzyl-N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N-methylurea

IUPAC name

1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

SMILES

CCOc1nccnc1N(CC1)CC1N(C)C(NCc1ccccc1)=O

InChI

InChI=1S/C19H25N5O2/c1-3-26-18-17(20-10-11-21-18)24-12-9-16(14-24)23(2)19(25)22-13-15-7-5-4-6-8-15/h4-8,10-11,16H,3,9,12-14H2,1-2H3,(H,22,25)/t16-/m0/s1

InChI Key

GSKDPNXFVMAEQQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29031014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.54

Polar Surface Area

55.053

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S064-0674 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S064-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0674?
Check Price and Availability of S064-0674, 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 S064-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0674
  • 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 S064-0674 available by request