Y031-0252 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0252 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0252 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0252
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide

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

Y031-0252

Molecular Formula

C15H19N3O3S2 (C15 H19 N3 O3 S2)

Compound Name

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-[5-(ethoxymethyl)-134-thiadiazol-2-yl]-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

CCOCc1nnc(NC(c(cccc2)c2SCCOC)=O)s1

InChI

InChI=1S/C15H19N3O3S2/c1-3-21-10-13-17-18-15(23-13)16-14(19)11-6-4-5-7-12(11)22-9-8-20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18,19)

InChI Key

MVXNRHUIIPKXNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06010799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.340

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-3.04

Polar Surface Area

63.771

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-0252 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0252?
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What is the minimum amount of Y031-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0252
  • 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 Y031-0252 available by request