Y300-0233 Screening compound: N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide

Y300-0233 Screening compound: N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide
Y300-0233 Screening compound: N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0233
N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide

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

Y300-0233

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

N-{[4-(piperidin-1-yl)phenyl]methyl}-3-(pyrrolidine-1-sulfonyl)benzamide

SMILES

O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)NCc(cc1)ccc1N1CCCCC1

InChI

InChI=1S/C23H29N3O3S/c27-23(20-7-6-8-22(17-20)30(28,29)26-15-4-5-16-26)24-18-19-9-11-21(12-10-19)25-13-2-1-3-14-25/h6-12,17H,1-5,13-16,18H2,(H,24,27)

InChI Key

GTSPVMMALQJCLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18486265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-3.83

Polar Surface Area

60.181

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y300-0233 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y300-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0233?
Check Price and Availability of Y300-0233, 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 Y300-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0233
  • 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 Y300-0233 available by request