Y031-3024 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

Y031-3024 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
Y031-3024 Screening compound: 2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3024
2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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

Y031-3024

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

2-[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

2-[2-(2H-13-benzodioxol-5-yloxy)acetamido]-N-(5-ethyl-134-thiadiazol-2-yl)benzamide

SMILES

CCc1nnc(NC(c(cccc2)c2NC(COc(cc2)cc3c2OCO3)=O)=O)s1

InChI

InChI=1S/C20H18N4O5S/c1-2-18-23-24-20(30-18)22-19(26)13-5-3-4-6-14(13)21-17(25)10-27-12-7-8-15-16(9-12)29-11-28-15/h3-9H,2,10-11H2,1H3,(H,21,25)(H,22,24,26)

InChI Key

GVOHFOIQILFWJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07141030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.59

Polar Surface Area

94.164

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y031-3024 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with Y031-3024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3024?
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What is the minimum amount of Y031-3024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3024
  • 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 Y031-3024 available by request