K783-5045 Screening compound: 1-(3-fluorophenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione

K783-5045 Screening compound: 1-(3-fluorophenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione
K783-5045 Screening compound: 1-(3-fluorophenyl)-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5045
1-(3-fluorophenyl)-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

K783-5045

Molecular Formula

C13H15FN2S (C13 H15 FN2 S)

Compound Name

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

IUPAC name

1-(3-fluorophenyl)-446-trimethyl-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(C)N1c2cc(F)ccc2)NC1=S

InChI

InChI=1S/C13H15FN2S/c1-9-8-13(2,3)15-12(17)16(9)11-6-4-5-10(14)7-11/h4-8H,1-3H3,(H,15,17)

InChI Key

ZWZCITRVYDETKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.34

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

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.32

Polar Surface Area

12.851

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with K783-5045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5045?
Check Price and Availability of K783-5045, 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 K783-5045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5045
  • 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 K783-5045 available by request