V009-5243 Screening compound: ethyl 6-[(3,5-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-5243 Screening compound: ethyl 6-[(3,5-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-5243 Screening compound: ethyl 6-[(3,5-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5243
ethyl 6-[(3,5-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-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

V009-5243

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

ethyl 6-[(3,5-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(35-dimethylphenoxy)methyl]-1-ethyl-2-oxo-4-(thiophen-3-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(COc1cc(C)cc(C)c1)=C(C(c1cscc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C22H26N2O4S/c1-5-24-18(12-28-17-10-14(3)9-15(4)11-17)19(21(25)27-6-2)20(23-22(24)26)16-7-8-29-13-16/h7-11,13,20H,5-6,12H2,1-4H3,(H,23,26)

InChI Key

QZZCNRHNWNNRLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19832194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.37

Polar Surface Area

56.995

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V009-5243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5243?
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What is the minimum amount of V009-5243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5243
  • 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 V009-5243 available by request