S263-1037 Screening compound: N-(1-benzyl-5-oxotetrahydro-1H-pyrrol-3-yl)-N'-propylurea

S263-1037 Screening compound: N-(1-benzyl-5-oxotetrahydro-1H-pyrrol-3-yl)-N'-propylurea
S263-1037 Screening compound: N-(1-benzyl-5-oxotetrahydro-1H-pyrrol-3-yl)-N'-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S263-1037
N-(1-benzyl-5-oxotetrahydro-1H-pyrrol-3-yl)-N'-propylurea

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

S263-1037

Molecular Formula

C15H21N3O2 (C15 H21 N3 O2)

Compound Name

N-(1-benzyl-5-oxotetrahydro-1H-pyrrol-3-yl)-N'-propylurea

IUPAC name

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-propylurea

SMILES

CCCNC(NC(C1)CN(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C15H21N3O2/c1-2-8-16-15(20)17-13-9-14(19)18(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,16,17,20)/t13-/m1/s1

InChI Key

FLFBPCRGUQBZEK-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.165

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-1.89

Polar Surface Area

52.028

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S263-1037 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S263-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S263-1037?
Check Price and Availability of S263-1037, 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 S263-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S263-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S263-1037
  • 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 S263-1037 available by request