3339-3859 Screening compound: ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3339-3859 Screening compound: ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3339-3859 Screening compound: ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-3859
ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-1,6-dimethyl-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

3339-3859

Molecular Formula

C24H28N2O4S (C24 H28 N2 O4 S)

Compound Name

ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-[4-(benzyloxy)-3-ethoxyphenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCC)c1OCc1ccccc1)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C24H28N2O4S/c1-5-28-20-14-18(12-13-19(20)30-15-17-10-8-7-9-11-17)22-21(23(27)29-6-2)16(3)26(4)24(31)25-22/h7-14,22H,5-6,15H2,1-4H3,(H,25,31)/t22-/m1/s1

InChI Key

ZPTIBPFJHHJPAE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02130266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-3.98

Polar Surface Area

49.791

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3339-3859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-3859?
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What is the minimum amount of 3339-3859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-3859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-3859
  • 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 3339-3859 available by request