V030-4939 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V030-4939 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V030-4939 Screening compound: ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4939
ethyl 6-[(3-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-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

V030-4939

Molecular Formula

C21H19Cl3N2O4 (C21 H19 Cl3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)cc(Cl)c1Cl)N1)=C(COc2cc(Cl)ccc2)N(C)C1=O)=O

InChI

InChI=1S/C21H19Cl3N2O4/c1-3-29-20(27)18-17(11-30-14-6-4-5-13(22)10-14)26(2)21(28)25-19(18)12-7-8-15(23)16(24)9-12/h4-10,19H,3,11H2,1-2H3,(H,25,28)/t19-/m0/s1

InChI Key

LPLVCEHYHZAXNZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD20500142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.75

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

5.698

Distribution Coefficient, logD

5.684

Water Solubility, LogSw

-6.16

Polar Surface Area

56.018

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V030-4939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4939?
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What is the minimum amount of V030-4939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4939
  • 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 V030-4939 available by request