Y040-6343 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

Y040-6343 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Y040-6343 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6343
N-[2-(1-cyclohexenyl)ethyl]-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

Y040-6343

Molecular Formula

C18H21N3O2S (C18 H21 N3 O2 S)

Compound Name

N-[2-(1-cyclohexenyl)ethyl]-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methoxyphenyl)-123-thiadiazole-5-carboxamide

SMILES

COc(cc1)ccc1-c1c(C(NCCC2=CCCCC2)=O)snn1

InChI

InChI=1S/C18H21N3O2S/c1-23-15-9-7-14(8-10-15)16-17(24-21-20-16)18(22)19-12-11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11-12H2,1H3,(H,19,22)

InChI Key

KAKNIXLQEWUAQZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.65

Polar Surface Area

54.595

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

Y040-6343 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-6343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6343?
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What is the minimum amount of Y040-6343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6343
  • 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 Y040-6343 available by request