Y030-7587 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide

Y030-7587 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide
Y030-7587 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7587
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide

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

Y030-7587

Molecular Formula

C12H13N3O2S2 (C12 H13 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COCc1nnc(NC(CSc2ccccc2)=O)s1

InChI

InChI=1S/C12H13N3O2S2/c1-17-7-11-14-15-12(19-11)13-10(16)8-18-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15,16)

InChI Key

PCSNMNWDBCSFOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03993246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.69

Polar Surface Area

55.580

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y030-7587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with Y030-7587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7587?
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What is the minimum amount of Y030-7587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7587
  • 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 Y030-7587 available by request