Y042-0783 Screening compound: N-(2-methoxybenzyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

Y042-0783 Screening compound: N-(2-methoxybenzyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Y042-0783 Screening compound: N-(2-methoxybenzyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-0783
N-(2-methoxybenzyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

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

Y042-0783

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

N-(2-methoxybenzyl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

IUPAC name

4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-123-thiadiazole-5-carboxamide

SMILES

COc(cc1)ccc1-c1c(C(NCc(cccc2)c2OC)=O)snn1

InChI

InChI=1S/C18H17N3O3S/c1-23-14-9-7-12(8-10-14)16-17(25-21-20-16)18(22)19-11-13-5-3-4-6-15(13)24-2/h3-10H,11H2,1-2H3,(H,19,22)

InChI Key

OSYCOKXYTSFARH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13760405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.59

Polar Surface Area

62.191

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y042-0783 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-0783?
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What is the minimum amount of Y042-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-0783
  • 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 Y042-0783 available by request