K783-5039 Screening compound: 4,4,6-trimethyl-1-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione

K783-5039 Screening compound: 4,4,6-trimethyl-1-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione
K783-5039 Screening compound: 4,4,6-trimethyl-1-(2-methylphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5039
4,4,6-trimethyl-1-(2-methylphenyl)-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

K783-5039

Molecular Formula

C14H18N2S (C14 H18 N2 S)

Compound Name

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

IUPAC name

446-trimethyl-1-(2-methylphenyl)-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(C)N1c2c(C)cccc2)NC1=S

InChI

InChI=1S/C14H18N2S/c1-10-7-5-6-8-12(10)16-11(2)9-14(3,4)15-13(16)17/h5-9H,1-4H3,(H,15,17)

InChI Key

XFYAMZGXNIYVLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01689286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.80

Polar Surface Area

12.550

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

K783-5039 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K783-5039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5039?
Check Price and Availability of K783-5039, 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 K783-5039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5039
  • 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 K783-5039 available by request