Y041-5161 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide

Y041-5161 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide
Y041-5161 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5161
N-(1H-1,3-benzodiazol-2-yl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide

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

Y041-5161

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide

IUPAC name

(2R)-N-(1H-13-benzodiazol-2-yl)-2-[(23-dihydro-14-benzodioxin-2-yl)formamido]-4-(methylsulfanyl)butanamide

SMILES

CSCCC(C(Nc1nc(cccc2)c2[nH]1)=O)NC(C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C21H22N4O4S/c1-30-11-10-15(19(26)25-21-23-13-6-2-3-7-14(13)24-21)22-20(27)18-12-28-16-8-4-5-9-17(16)29-18/h2-9,15,18H,10-12H2,1H3,(H,22,27)(H2,23,24,25,26)/t15-,18?/m0/s1

InChI Key

UREICCCUUVWLGW-BUSXIPJBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.46

Polar Surface Area

83.507

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

Y041-5161 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-5161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5161?
Check Price and Availability of Y041-5161, 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 Y041-5161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5161
  • 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 Y041-5161 available by request