Y031-6465 Screening compound: N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

Y031-6465 Screening compound: N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide
Y031-6465 Screening compound: N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6465
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

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

Y031-6465

Molecular Formula

C18H23N3O2S (C18 H23 N3 O2 S)

Compound Name

N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

IUPAC name

N-{5-[2-(4-methoxyphenyl)ethyl]-134-thiadiazol-2-yl}cyclohexanecarboxamide

SMILES

COc1ccc(CCc2nnc(NC(C3CCCCC3)=O)s2)cc1

InChI

InChI=1S/C18H23N3O2S/c1-23-15-10-7-13(8-11-15)9-12-16-20-21-18(24-16)19-17(22)14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3,(H,19,21,22)

InChI Key

HLMQOQDHTROVIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

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

4.428

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.22

Polar Surface Area

54.834

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-6465 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 Y031-6465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6465?
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What is the minimum amount of Y031-6465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6465
  • 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 Y031-6465 available by request