2822-0006 Screening compound: 1-(4-methoxyphenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

2822-0006 Screening compound: 1-(4-methoxyphenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione
2822-0006 Screening compound: 1-(4-methoxyphenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2822-0006
1-(4-methoxyphenyl)-4,4,6-trimethyl-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

2822-0006

Molecular Formula

C14H18N2OS (C14 H18 N2 OS)

Compound Name

1-(4-methoxyphenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

IUPAC name

1-(4-methoxyphenyl)-446-trimethyl-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(C)N1c(cc2)ccc2OC)NC1=S

InChI

InChI=1S/C14H18N2OS/c1-10-9-14(2,3)15-13(18)16(10)11-5-7-12(17-4)8-6-11/h5-9H,1-4H3,(H,15,18)

InChI Key

APCVAQGBSZGNIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.139

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-3.43

Polar Surface Area

20.395

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

2822-0006 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 2822-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2822-0006?
Check Price and Availability of 2822-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2822-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2822-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2822-0006
  • 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 2822-0006 available by request