8012-2751 Screening compound: ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8012-2751 Screening compound: ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8012-2751 Screening compound: ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2751
ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-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

8012-2751

Molecular Formula

C17H20ClFN2O3 (C17 H20 ClFN2 O3)

Compound Name

ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(2-chloro-6-fluorophenyl)-1-methyl-2-oxo-6-propyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCC(N(C)C(NC1c(c(F)ccc2)c2Cl)=O)=C1C(OCC)=O

InChI

InChI=1S/C17H20ClFN2O3/c1-4-7-12-14(16(22)24-5-2)15(20-17(23)21(12)3)13-10(18)8-6-9-11(13)19/h6,8-9,15H,4-5,7H2,1-3H3,(H,20,23)/t15-/m1/s1

InChI Key

MOTWRZPALPXTPL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02627326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.80

Polar Surface Area

48.790

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8012-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2751?
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What is the minimum amount of 8012-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2751
  • 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 8012-2751 available by request