Y031-0351 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

Y031-0351 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Y031-0351 Screening compound: 2-[(2-methoxyethyl)sulfanyl]-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0351
2-[(2-methoxyethyl)sulfanyl]-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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

Y031-0351

Molecular Formula

C15H19N3O3S3 (C15 H19 N3 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

COCCSc1nnc(NC(c(cccc2)c2SCCOC)=O)s1

InChI

InChI=1S/C15H19N3O3S3/c1-20-7-9-22-12-6-4-3-5-11(12)13(19)16-14-17-18-15(24-14)23-10-8-21-2/h3-6H,7-10H2,1-2H3,(H,16,17,19)

InChI Key

MLWJSOFKHSONOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.56

Polar Surface Area

62.920

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-0351 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0351?
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What is the minimum amount of Y031-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0351
  • 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 Y031-0351 available by request