V012-9778 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V012-9778 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V012-9778 Screening compound: ethyl 6-[(4-acetylphenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9778
ethyl 6-[(4-acetylphenoxy)methyl]-4-(2,5-dimethoxyphenyl)-1-methyl-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

V012-9778

Molecular Formula

C25H28N2O7 (C25 H28 N2 O7)

Compound Name

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

IUPAC name

ethyl 6-[(4-acetylphenoxy)methyl]-4-(25-dimethoxyphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1)=C(COc(cc2)ccc2C(C)=O)N(C)C1=O)=O

InChI

InChI=1S/C25H28N2O7/c1-6-33-24(29)22-20(14-34-17-9-7-16(8-10-17)15(2)28)27(3)25(30)26-23(22)19-13-18(31-4)11-12-21(19)32-5/h7-13,23H,6,14H2,1-5H3,(H,26,30)/t23-/m1/s1

InChI Key

FUBAXYATSRWXMO-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19839408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.34

Polar Surface Area

85.018

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V012-9778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9778?
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What is the minimum amount of V012-9778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9778
  • 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 V012-9778 available by request