Y031-3450 Screening compound: N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)benzamide

Y031-3450 Screening compound: N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)benzamide
Y031-3450 Screening compound: N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3450
N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)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

Y031-3450

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)benzamide

IUPAC name

N-[(oxolan-2-yl)methyl]-2-(3-phenylmethanesulfonylpropanamido)benzamide

SMILES

O=C(CCS(Cc1ccccc1)(=O)=O)Nc(cccc1)c1C(NCC1OCCC1)=O

InChI

InChI=1S/C22H26N2O5S/c25-21(12-14-30(27,28)16-17-7-2-1-3-8-17)24-20-11-5-4-10-19(20)22(26)23-15-18-9-6-13-29-18/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26)(H,24,25)/t18-/m1/s1

InChI Key

ALQRAJVYSSRYFQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07152677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.928

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.15

Polar Surface Area

83.786

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

Y031-3450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-3450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3450?
Check Price and Availability of Y031-3450, 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 Y031-3450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3450
  • 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 Y031-3450 available by request