8014-6479 Screening compound: 1-(4-isopropylphenyl)-5-[(Z)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H)-pyrimidinedione

8014-6479 Screening compound: 1-(4-isopropylphenyl)-5-[(Z)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H)-pyrimidinedione
8014-6479 Screening compound: 1-(4-isopropylphenyl)-5-[(Z)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6479
1-(4-isopropylphenyl)-5-[(Z)-1-(piperidinoamino)methylidene]-2-thioxodihydro-4,6(1H)-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

8014-6479

Molecular Formula

C19H24N4O2S (C19 H24 N4 O2 S)

Compound Name

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

IUPAC name

(5Z)-5-{[(piperidin-1-yl)amino]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-13-diazinane-46-dione

SMILES

CC(C)c(cc1)ccc1N(C(/C(/C(N1)=O)=C\NN2CCCCC2)=O)C1=S

InChI

InChI=1S/C19H24N4O2S/c1-13(2)14-6-8-15(9-7-14)23-18(25)16(17(24)21-19(23)26)12-20-22-10-4-3-5-11-22/h6-9,12-13,20H,3-5,10-11H2,1-2H3,(H,21,24,26)

InChI Key

YTMFVBROUBYZAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

1.637

Water Solubility, LogSw

-2.91

Polar Surface Area

57.773

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 8014-6479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6479?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6479
  • 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 8014-6479 available by request