Y050-2391 Screening compound: 4-methoxy-N-[(pyridin-2-yl)methyl]-3-(pyrrolidine-1-sulfonyl)benzamide

Y050-2391 Screening compound: 4-methoxy-N-[(pyridin-2-yl)methyl]-3-(pyrrolidine-1-sulfonyl)benzamide
Y050-2391 Screening compound: 4-methoxy-N-[(pyridin-2-yl)methyl]-3-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2391
4-methoxy-N-[(pyridin-2-yl)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

Y050-2391

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

4-methoxy-N-[(pyridin-2-yl)methyl]-3-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

4-methoxy-N-[(pyridin-2-yl)methyl]-3-(pyrrolidine-1-sulfonyl)benzamide

SMILES

COc(ccc(C(NCc1ncccc1)=O)c1)c1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C18H21N3O4S/c1-25-16-8-7-14(18(22)20-13-15-6-2-3-9-19-15)12-17(16)26(23,24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,20,22)

InChI Key

YJIWTUQQODORSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03750262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-2.53

Polar Surface Area

73.902

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y050-2391 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y050-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2391?
Check Price and Availability of Y050-2391, 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 Y050-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2391
  • 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 Y050-2391 available by request