4428-0042 Screening compound: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4428-0042 Screening compound: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4428-0042 Screening compound: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0042
methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

4428-0042

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cn(-c3ccccc3)nc2-c(cc2)ccc2OC)=S)=C1C(OC)=O

InChI

InChI=1S/C23H22N4O3S/c1-14-19(22(28)30-3)21(25-23(31)24-14)18-13-27(16-7-5-4-6-8-16)26-20(18)15-9-11-17(29-2)12-10-15/h4-13,21H,1-3H3,(H2,24,25,31)/t21-/m1/s1

InChI Key

FVIYVYLKXINABZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01868936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-3.72

Polar Surface Area

66.024

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 4428-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0042?
Check Price and Availability of 4428-0042, 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 4428-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0042
  • 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 4428-0042 available by request