Y031-3454 Screening compound: N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-ethoxypropanamide

Y031-3454 Screening compound: N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-ethoxypropanamide
Y031-3454 Screening compound: N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-ethoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3454
N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-ethoxypropanamide

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

Y031-3454

Molecular Formula

C11H19N3O2S2 (C11 H19 N3 O2 S2)

Compound Name

N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-ethoxypropanamide

IUPAC name

N-[5-(butan-2-ylsulfanyl)-134-thiadiazol-2-yl]-3-ethoxypropanamide

SMILES

CCC(C)Sc1nnc(NC(CCOCC)=O)s1

InChI

InChI=1S/C11H19N3O2S2/c1-4-8(3)17-11-14-13-10(18-11)12-9(15)6-7-16-5-2/h8H,4-7H2,1-3H3,(H,12,13,15)/t8-/m0/s1

InChI Key

REBIRDSWAGHWNX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD07152692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.42

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

3.128

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.20

Polar Surface Area

54.271

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

Y031-3454 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 Y031-3454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3454?
Check Price and Availability of Y031-3454, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-3454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3454
  • 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 Y031-3454 available by request