8017-6279 Screening compound: N~1~-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-cyclohexanecarboxamide

8017-6279 Screening compound: N~1~-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-cyclohexanecarboxamide
8017-6279 Screening compound: N~1~-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6279
N~1~-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-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

8017-6279

Molecular Formula

C19H27N3OS2 (C19 H27 N3 OS2)

Compound Name

N~1~-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-cyclohexanecarboxamide

IUPAC name

N-[3-(adamantan-1-ylsulfanyl)-124-thiadiazol-5-yl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nc(SC2(CC(C3)C4)CC4CC3C2)ns1

InChI

InChI=1S/C19H27N3OS2/c23-16(15-4-2-1-3-5-15)20-17-21-18(22-25-17)24-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15H,1-11H2,(H,20,21,22,23)

InChI Key

PUNMLFBOLUNJGB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.49

Polar Surface Area

42.865

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.21

8017-6279 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-6279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6279?
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What is the minimum amount of 8017-6279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6279
  • 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 8017-6279 available by request