Y031-3444 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

Y031-3444 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide
Y031-3444 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3444
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

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

Y031-3444

Molecular Formula

C19H19N3O2S2 (C19 H19 N3 O2 S2)

Compound Name

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

IUPAC name

N-{5-[(2-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide

SMILES

COc1c(Cc2nnc(NC(CCSc3ccccc3)=O)s2)cccc1

InChI

InChI=1S/C19H19N3O2S2/c1-24-16-10-6-5-7-14(16)13-18-21-22-19(26-18)20-17(23)11-12-25-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,20,22,23)

InChI Key

LBZLLOBHMZCTRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07152634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

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

4.357

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.36

Polar Surface Area

54.515

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with Y031-3444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3444?
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What is the minimum amount of Y031-3444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3444
  • 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 Y031-3444 available by request