S064-0841 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

S064-0841 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea
S064-0841 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0841
1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-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

S064-0841

Molecular Formula

C18H22FN5O2 (C18 H22 FN5 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

IUPAC name

1-[(4-fluorophenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

SMILES

CN(C(CC1)CN1c1nccnc1OC)C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C18H22FN5O2/c1-23(18(25)22-11-13-3-5-14(19)6-4-13)15-7-10-24(12-15)16-17(26-2)21-9-8-20-16/h3-6,8-9,15H,7,10-12H2,1-2H3,(H,22,25)/t15-/m0/s1

InChI Key

WHMTUQZUYAUTGR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29031113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.58

Polar Surface Area

55.473

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

S064-0841 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S064-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0841?
Check Price and Availability of S064-0841, 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 S064-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0841
  • 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 S064-0841 available by request