8008-9921 Screening compound: 1,2,2-trimethylpropyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8008-9921 Screening compound: 1,2,2-trimethylpropyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8008-9921 Screening compound: 1,2,2-trimethylpropyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9921
1,2,2-trimethylpropyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8008-9921

Molecular Formula

C20H28N2O4 (C20 H28 N2 O4)

Compound Name

1,2,2-trimethylpropyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

33-dimethylbutan-2-yl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1c(C(C(C(OC(C)C(C)(C)C)=O)=C(C)N2)NC2=O)cccc1

InChI

InChI=1S/C20H28N2O4/c1-7-25-15-11-9-8-10-14(15)17-16(12(2)21-19(24)22-17)18(23)26-13(3)20(4,5)6/h8-11,13,17H,7H2,1-6H3,(H2,21,22,24)

InChI Key

YSPKMEHEJZOWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01193648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.98

Polar Surface Area

63.321

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8008-9921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9921?
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What is the minimum amount of 8008-9921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9921
  • 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 8008-9921 available by request