Y031-1093 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide

Y031-1093 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide
Y031-1093 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1093
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide

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

Y031-1093

Molecular Formula

C13H15N3O2S2 (C13 H15 N3 O2 S2)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-3-(phenylsulfanyl)propanamide

SMILES

COCc1nnc(NC(CCSc2ccccc2)=O)s1

InChI

InChI=1S/C13H15N3O2S2/c1-18-9-12-15-16-13(20-12)14-11(17)7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)

InChI Key

WHEVHSWGYOGREI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

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

2.345

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.85

Polar Surface Area

55.580

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y031-1093 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1093?
Check Price and Availability of Y031-1093, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1093
  • 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 Y031-1093 available by request