V012-9789 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V012-9789 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V012-9789 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9789
ethyl 6-[(4-acetylphenoxy)methyl]-4-(2-chlorophenyl)-1-ethyl-2-oxo-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

V012-9789

Molecular Formula

C24H25ClN2O5 (C24 H25 ClN2 O5)

Compound Name

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

IUPAC name

ethyl 6-[(4-acetylphenoxy)methyl]-4-(2-chlorophenyl)-1-ethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(COc(cc1)ccc1C(C)=O)=C(C(c(cccc1)c1Cl)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C24H25ClN2O5/c1-4-27-20(14-32-17-12-10-16(11-13-17)15(3)28)21(23(29)31-5-2)22(26-24(27)30)18-8-6-7-9-19(18)25/h6-13,22H,4-5,14H2,1-3H3,(H,26,30)/t22-/m0/s1

InChI Key

NNLXKMYYXJWOIO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19832241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.36

Polar Surface Area

69.803

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V012-9789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9789?
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What is the minimum amount of V012-9789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9789
  • 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 V012-9789 available by request