P315-0558 Screening compound: 3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

P315-0558 Screening compound: 3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
P315-0558 Screening compound: 3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P315-0558
3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]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

P315-0558

Molecular Formula

C15H20FN3O2 (C15 H20 FN3 O2)

Compound Name

3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

IUPAC name

3-(butan-2-yl)-1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

SMILES

CCC(C)NC(NC(CCN1c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C15H20FN3O2/c1-3-10(2)17-15(21)18-13-8-9-19(14(13)20)12-6-4-11(16)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H2,17,18,21)

InChI Key

BWBIVWVUXFOIDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27572056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.33

Polar Surface Area

51.361

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

P315-0558 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P315-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P315-0558?
Check Price and Availability of P315-0558, 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 P315-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P315-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P315-0558
  • 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 P315-0558 available by request