3448-5438 Screening compound: 1-(3,5-DICHLOROPHENYL)-4,4,6-TRIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE

3448-5438 Screening compound: 1-(3,5-DICHLOROPHENYL)-4,4,6-TRIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE
3448-5438 Screening compound: 1-(3,5-DICHLOROPHENYL)-4,4,6-TRIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-5438
1-(3,5-DICHLOROPHENYL)-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

3448-5438

Molecular Formula

C13H14Cl2N2S (C13 H14 Cl2 N2 S)

Compound Name

1-(3,5-DICHLOROPHENYL)-4,4,6-TRIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE

IUPAC name

n/a

SMILES

CC(C)(C=C(C)N1c2cc(Cl)cc(Cl)c2)NC1=S

InChI

InChI=1S/C13H14Cl2N2S/c1-8-7-13(2,3)16-12(18)17(8)11-5-9(14)4-10(15)6-11/h4-7H,1-3H3,(H,16,18)

InChI Key

ANVUIGXJNQCVSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00125515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.24

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

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.64

Polar Surface Area

12.851

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 3448-5438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-5438?
Check Price and Availability of 3448-5438, 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 3448-5438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-5438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-5438
  • 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 3448-5438 available by request