V030-4956 Screening compound: ethyl 4-(2,3-dichlorophenyl)-1-methyl-6-[(3-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V030-4956 Screening compound: ethyl 4-(2,3-dichlorophenyl)-1-methyl-6-[(3-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V030-4956 Screening compound: ethyl 4-(2,3-dichlorophenyl)-1-methyl-6-[(3-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4956
ethyl 4-(2,3-dichlorophenyl)-1-methyl-6-[(3-methylphenoxy)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

V030-4956

Molecular Formula

C22H22Cl2N2O4 (C22 H22 Cl2 N2 O4)

Compound Name

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

IUPAC name

ethyl 4-(23-dichlorophenyl)-1-methyl-6-[(3-methylphenoxy)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc(Cl)c1Cl)N1)=C(COc2cc(C)ccc2)N(C)C1=O)=O

InChI

InChI=1S/C22H22Cl2N2O4/c1-4-29-21(27)18-17(12-30-14-8-5-7-13(2)11-14)26(3)22(28)25-20(18)15-9-6-10-16(23)19(15)24/h5-11,20H,4,12H2,1-3H3,(H,25,28)/t20-/m0/s1

InChI Key

SMRATVJCBMYEQV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD20500173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.71

Polar Surface Area

56.018

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V030-4956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4956?
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What is the minimum amount of V030-4956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4956
  • 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 V030-4956 available by request