C352-0012 Screening compound: 6-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

C352-0012 Screening compound: 6-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione
C352-0012 Screening compound: 6-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C352-0012
6-[(1E)-2-(3,4-dimethoxyphenyl)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

C352-0012

Molecular Formula

C16H20N2O2S (C16 H20 N2 O2 S)

Compound Name

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

IUPAC name

6-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-44-dimethyl-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(/C=C/c(cc1)cc(OC)c1OC)N1)NC1=S

InChI

InChI=1S/C16H20N2O2S/c1-16(2)10-12(17-15(21)18-16)7-5-11-6-8-13(19-3)14(9-11)20-4/h5-10H,1-4H3,(H2,17,18,21)

InChI Key

FAGVDVRSAPWTHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.59

Polar Surface Area

37.877

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C352-0012 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C352-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C352-0012?
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What is the minimum amount of C352-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C352-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C352-0012
  • 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 C352-0012 available by request