8009-4811 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8009-4811 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8009-4811 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4811
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-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

8009-4811

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]-6-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(COc1c(C(C(C(OCC)=O)=C(c2ccccc2)N2)NC2=S)c2ccccc2cc1)=O

InChI

InChI=1S/C27H26N2O5S/c1-3-32-21(30)16-34-20-15-14-17-10-8-9-13-19(17)22(20)25-23(26(31)33-4-2)24(28-27(35)29-25)18-11-6-5-7-12-18/h5-15,25H,3-4,16H2,1-2H3,(H2,28,29,35)/t25-/m0/s1

InChI Key

VQDGNKLDKBPZKC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01821536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-5.31

Polar Surface Area

71.130

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8009-4811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4811?
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What is the minimum amount of 8009-4811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4811
  • 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 8009-4811 available by request