Y031-0239 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-0239 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-0239 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0239
2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-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

Y031-0239

Molecular Formula

C14H17N3O3S2 (C14 H17 N3 O3 S2)

Compound Name

2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-[(2-methoxyethyl)sulfanyl]-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]benzamide

SMILES

COCCSc(cccc1)c1C(Nc1nnc(COC)s1)=O

InChI

InChI=1S/C14H17N3O3S2/c1-19-7-8-21-11-6-4-3-5-10(11)13(18)15-14-17-16-12(22-14)9-20-2/h3-6H,7-9H2,1-2H3,(H,15,17,18)

InChI Key

INZWACKWUAOMMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06010796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

0.961

Water Solubility, LogSw

-2.83

Polar Surface Area

64.136

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

Y031-0239 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0239?
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What is the minimum amount of Y031-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0239
  • 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 Y031-0239 available by request