Y031-0693 Screening compound: 2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

Y031-0693 Screening compound: 2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Y031-0693 Screening compound: 2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0693
2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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

Y031-0693

Molecular Formula

C9H15N3O3S2 (C9 H15 N3 O3 S2)

Compound Name

2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

2-ethoxy-N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}acetamide

SMILES

CCOCC(Nc1nnc(SCCOC)s1)=O

InChI

InChI=1S/C9H15N3O3S2/c1-3-15-6-7(13)10-8-11-12-9(17-8)16-5-4-14-2/h3-6H2,1-2H3,(H,10,11,13)

InChI Key

SNJFHHQQXLVJQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06010835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

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

1.219

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-1.79

Polar Surface Area

62.695

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

Y031-0693 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0693?
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What is the minimum amount of Y031-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0693
  • 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 Y031-0693 available by request