Y031-2722 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Y031-2722 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Y031-2722 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2722
2-(2H-1,3-benzodioxol-5-yloxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

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

Y031-2722

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

2-(2H-1,3-benzodioxol-5-yloxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(2H-13-benzodioxol-5-yloxy)-N-(4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

O=C(COc(cc1)cc2c1OCO2)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C16H16N2O4S/c19-15(18-16-17-11-3-1-2-4-14(11)23-16)8-20-10-5-6-12-13(7-10)22-9-21-12/h5-7H,1-4,8-9H2,(H,17,18,19)

InChI Key

CVOOMFLPOLOUJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07134311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.80

Polar Surface Area

59.199

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y031-2722 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-2722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2722?
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What is the minimum amount of Y031-2722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2722
  • 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 Y031-2722 available by request