8012-2750 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8012-2750 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8012-2750 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2750
ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-propyl-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

8012-2750

Molecular Formula

C17H21ClN2O3 (C17 H21 ClN2 O3)

Compound Name

ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

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

SMILES

CCCC(N(C)C(NC1c(cccc2)c2Cl)=O)=C1C(OCC)=O

InChI

InChI=1S/C17H21ClN2O3/c1-4-8-13-14(16(21)23-5-2)15(19-17(22)20(13)3)11-9-6-7-10-12(11)18/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,19,22)/t15-/m0/s1

InChI Key

QBLYTSRXLDOPQN-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.82

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

3.675

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.89

Polar Surface Area

48.790

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 8012-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2750?
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What is the minimum amount of 8012-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2750
  • 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 8012-2750 available by request