Y031-3524 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]benzamide

Y031-3524 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]benzamide
Y031-3524 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3524
2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]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

Y031-3524

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-[2-(2H-13-benzodioxol-5-yloxy)acetamido]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(COc(cc1)cc2c1OCO2)Nc(cccc1)c1C(NCC1OCCC1)=O

InChI

InChI=1S/C21H22N2O6/c24-20(12-27-14-7-8-18-19(10-14)29-13-28-18)23-17-6-2-1-5-16(17)21(25)22-11-15-4-3-9-26-15/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,22,25)(H,23,24)/t15-/m1/s1

InChI Key

ZFLKKSUQJBMZJK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07152961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.866

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.68

Polar Surface Area

80.101

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y031-3524 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-3524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3524?
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What is the minimum amount of Y031-3524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3524
  • 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 Y031-3524 available by request