1630-0357 Screening compound: 4,4,6-trimethyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2-thione

1630-0357 Screening compound: 4,4,6-trimethyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2-thione
1630-0357 Screening compound: 4,4,6-trimethyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0357
4,4,6-trimethyl-1-phenyl-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

1630-0357

Molecular Formula

C13H16N2S (C13 H16 N2 S)

Compound Name

4,4,6-trimethyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2-thione

IUPAC name

446-trimethyl-1-phenyl-1234-tetrahydropyrimidine-2-thione

SMILES

CC(C)(C=C(C)N1c2ccccc2)NC1=S

InChI

InChI=1S/C13H16N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)

InChI Key

XVHGXRIOJOSLFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.35

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

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.19

Polar Surface Area

12.851

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 1630-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0357?
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What is the minimum amount of 1630-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0357
  • 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 1630-0357 available by request