Y040-6333 Screening compound: [4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](1,4-thiazinan-4-yl)methanone

Y040-6333 Screening compound: [4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](1,4-thiazinan-4-yl)methanone
Y040-6333 Screening compound: [4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](1,4-thiazinan-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6333
[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](1,4-thiazinan-4-yl)methanone

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

Y040-6333

Molecular Formula

C14H15N3O2S2 (C14 H15 N3 O2 S2)

Compound Name

[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](1,4-thiazinan-4-yl)methanone

IUPAC name

4-[4-(4-methoxyphenyl)-123-thiadiazole-5-carbonyl]thiomorpholine

SMILES

COc(cc1)ccc1-c1c(C(N2CCSCC2)=O)snn1

InChI

InChI=1S/C14H15N3O2S2/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3

InChI Key

YVMJDWSQYODFJU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.38

Polar Surface Area

46.796

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

Y040-6333 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-6333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6333?
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What is the minimum amount of Y040-6333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6333
  • 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 Y040-6333 available by request