8014-6764 Screening compound: 1-METHYL-5-[(Z)-1-(1-METHYL-1H-INDOL-3-YL)METHYLIDENE]-2-THIOXODIHYDRO-4,6(1H)-PYRIMIDINEDIONE

8014-6764 Screening compound: 1-METHYL-5-[(Z)-1-(1-METHYL-1H-INDOL-3-YL)METHYLIDENE]-2-THIOXODIHYDRO-4,6(1H)-PYRIMIDINEDIONE
8014-6764 Screening compound: 1-METHYL-5-[(Z)-1-(1-METHYL-1H-INDOL-3-YL)METHYLIDENE]-2-THIOXODIHYDRO-4,6(1H)-PYRIMIDINEDIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6764
1-METHYL-5-[(Z)-1-(1-METHYL-1H-INDOL-3-YL)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

8014-6764

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

1-METHYL-5-[(Z)-1-(1-METHYL-1H-INDOL-3-YL)METHYLIDENE]-2-THIOXODIHYDRO-4,6(1H)-PYRIMIDINEDIONE

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2c(/C=C(/C(NC(N2C)=S)=O)\C2=O)c1

InChI

InChI=1S/C15H13N3O2S/c1-17-8-9(10-5-3-4-6-12(10)17)7-11-13(19)16-15(21)18(2)14(11)20/h3-8H,1-2H3,(H,16,19,21)

InChI Key

FPMWHFGJPSJZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

0.959

Water Solubility, LogSw

-2.26

Polar Surface Area

43.437

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8014-6764 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8014-6764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6764?
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What is the minimum amount of 8014-6764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6764
  • 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 8014-6764 available by request