8014-9436 Screening compound: 2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

8014-9436 Screening compound: 2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
8014-9436 Screening compound: 2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9436
2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

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

8014-9436

Molecular Formula

C16H21N3OS2 (C16 H21 N3 OS2)

Compound Name

2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

CC(C)(C)c(ccc(C)c1)c1SCC(Nc1nnc(C)s1)=O

InChI

InChI=1S/C16H21N3OS2/c1-10-6-7-12(16(3,4)5)13(8-10)21-9-14(20)17-15-19-18-11(2)22-15/h6-8H,9H2,1-5H3,(H,17,19,20)

InChI Key

ITYRBLPCBQVJAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.09

Polar Surface Area

46.468

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8014-9436 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-9436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9436?
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What is the minimum amount of 8014-9436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9436
  • 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 8014-9436 available by request