V030-4890 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V030-4890 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V030-4890 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4890
ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-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

V030-4890

Molecular Formula

C22H21Cl3N2O4 (C22 H21 Cl3 N2 O4)

Compound Name

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

IUPAC name

ethyl 6-[(3-chlorophenoxy)methyl]-4-(34-dichlorophenyl)-1-ethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(COc1cc(Cl)ccc1)=C(C(c(cc1)cc(Cl)c1Cl)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C22H21Cl3N2O4/c1-3-27-18(12-31-15-7-5-6-14(23)11-15)19(21(28)30-4-2)20(26-22(27)29)13-8-9-16(24)17(25)10-13/h5-11,20H,3-4,12H2,1-2H3,(H,26,29)/t20-/m0/s1

InChI Key

QREQGRDNHHDYND-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.274

Distribution Coefficient, logD

6.269

Water Solubility, LogSw

-6.39

Polar Surface Area

55.977

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V030-4890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4890?
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What is the minimum amount of V030-4890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4890
  • 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 V030-4890 available by request