C352-0005 Screening compound: 6-[(1E)-2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

C352-0005 Screening compound: 6-[(1E)-2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione
C352-0005 Screening compound: 6-[(1E)-2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C352-0005
6-[(1E)-2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

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

C352-0005

Molecular Formula

C14H14Cl2N2S (C14 H14 Cl2 N2 S)

Compound Name

6-[(1E)-2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

IUPAC name

6-[(1E)-2-(26-dichlorophenyl)ethenyl]-44-dimethyl-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(/C=C/c(c(Cl)ccc1)c1Cl)N1)NC1=S

InChI

InChI=1S/C14H14Cl2N2S/c1-14(2)8-9(17-13(19)18-14)6-7-10-11(15)4-3-5-12(10)16/h3-8H,1-2H3,(H2,17,18,19)

InChI Key

LJNVCUHBCQXHLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.15

Polar Surface Area

22.616

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C352-0005 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C352-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C352-0005?
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What is the minimum amount of C352-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C352-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C352-0005
  • 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 C352-0005 available by request