8014-6444 Screening compound: 1-cyclohexyl-5-[(E)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

8014-6444 Screening compound: 1-cyclohexyl-5-[(E)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
8014-6444 Screening compound: 1-cyclohexyl-5-[(E)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6444
1-cyclohexyl-5-[(E)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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

8014-6444

Molecular Formula

C16H24N4O2S (C16 H24 N4 O2 S)

Compound Name

1-cyclohexyl-5-[(E)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

IUPAC name

(5E)-1-cyclohexyl-5-{[(piperidin-1-yl)amino]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(/C(/C(N1C2CCCCC2)=O)=C\NN2CCCCC2)NC1=S

InChI

InChI=1S/C16H24N4O2S/c21-14-13(11-17-19-9-5-2-6-10-19)15(22)20(16(23)18-14)12-7-3-1-4-8-12/h11-12,17H,1-10H2,(H,18,21,23)

InChI Key

YONJYNNFTHJMOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.544

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.28

Polar Surface Area

57.606

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

8014-6444 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 8014-6444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6444?
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What is the minimum amount of 8014-6444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6444
  • 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 8014-6444 available by request