Y031-3384 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}oxolane-2-carboxamide

Y031-3384 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}oxolane-2-carboxamide
Y031-3384 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3384
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}oxolane-2-carboxamide

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

Y031-3384

Molecular Formula

C14H15N3O2S2 (C14 H15 N3 O2 S2)

Compound Name

N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}oxolane-2-carboxamide

IUPAC name

N-{5-[(phenylsulfanyl)methyl]-134-thiadiazol-2-yl}oxolane-2-carboxamide

SMILES

O=C(C1OCCC1)Nc1nnc(CSc2ccccc2)s1

InChI

InChI=1S/C14H15N3O2S2/c18-13(11-7-4-8-19-11)15-14-17-16-12(21-14)9-20-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,17,18)/t11-/m0/s1

InChI Key

ULQUGGFZHBTFTD-NSHDSACASA-N

MDL Number (MFCD)

MFCD07152345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.97

Polar Surface Area

55.510

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

Y031-3384 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 Y031-3384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3384?
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What is the minimum amount of Y031-3384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3384
  • 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 Y031-3384 available by request