Y031-0973 Screening compound: 2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide

Y031-0973 Screening compound: 2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
Y031-0973 Screening compound: 2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0973
2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-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

Y031-0973

Molecular Formula

C15H19N3O2S2 (C15 H19 N3 O2 S2)

Compound Name

2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-(benzylsulfanyl)-N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]acetamide

SMILES

CCOCCc1nnc(NC(CSCc2ccccc2)=O)s1

InChI

InChI=1S/C15H19N3O2S2/c1-2-20-9-8-14-17-18-15(22-14)16-13(19)11-21-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18,19)

InChI Key

YGWQPZLMCIUJRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.30

Polar Surface Area

55.134

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-0973 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0973?
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What is the minimum amount of Y031-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0973
  • 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 Y031-0973 available by request