V018-6790 Screening compound: ethyl 4-(3-chlorophenyl)-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-6790 Screening compound: ethyl 4-(3-chlorophenyl)-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-6790 Screening compound: ethyl 4-(3-chlorophenyl)-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6790
ethyl 4-(3-chlorophenyl)-1-methyl-6-[(4-methylpiperazin-1-yl)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

V018-6790

Molecular Formula

C20H27ClN4O3 (C20 H27 ClN4 O3)

Compound Name

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

IUPAC name

ethyl 4-(3-chlorophenyl)-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc(Cl)c1)N1)=C(CN2CCN(C)CC2)N(C)C1=O)=O

InChI

InChI=1S/C20H27ClN4O3/c1-4-28-19(26)17-16(13-25-10-8-23(2)9-11-25)24(3)20(27)22-18(17)14-6-5-7-15(21)12-14/h5-7,12,18H,4,8-11,13H2,1-3H3,(H,22,27)/t18-/m0/s1

InChI Key

DTFKTIFFYGGZJN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19815113

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

-0.041

Water Solubility, LogSw

-2.95

Polar Surface Area

55.999

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V018-6790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6790?
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What is the minimum amount of V018-6790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6790
  • 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 V018-6790 available by request