Y031-2782 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)benzamide

Y031-2782 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)benzamide
Y031-2782 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2782
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)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

Y031-2782

Molecular Formula

C14H17N3O2S2 (C14 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H17N3O2S2/c1-3-8-20-11-7-5-4-6-10(11)13(18)15-14-17-16-12(21-14)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)

InChI Key

LRBNEAKSOOIBGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07134607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-3.63

Polar Surface Area

55.794

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

Y031-2782 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2782?
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What is the minimum amount of Y031-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2782
  • 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 Y031-2782 available by request