Y031-0564 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide

Y031-0564 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide
Y031-0564 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0564
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide

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

Y031-0564

Molecular Formula

C15H19N3O2S2 (C15 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1nnc(SCCOC)s1)=O)c1ccccc1

InChI

InChI=1S/C15H19N3O2S2/c1-3-12(11-7-5-4-6-8-11)13(19)16-14-17-18-15(22-14)21-10-9-20-2/h4-8,12H,3,9-10H2,1-2H3,(H,16,17,19)/t12-/m1/s1

InChI Key

QNMDFIVSHZBYKB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05996890

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.66

Polar Surface Area

54.578

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y031-0564 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 Y031-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0564?
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What is the minimum amount of Y031-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0564
  • 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 Y031-0564 available by request