V019-5435 Screening compound: ethyl 1-allyl-4-(2-chlorophenyl)-6-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V019-5435 Screening compound: ethyl 1-allyl-4-(2-chlorophenyl)-6-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V019-5435 Screening compound: ethyl 1-allyl-4-(2-chlorophenyl)-6-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5435
ethyl 1-allyl-4-(2-chlorophenyl)-6-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V019-5435

Molecular Formula

C21H26ClN3O4 (C21 H26 ClN3 O4)

Compound Name

ethyl 1-allyl-4-(2-chlorophenyl)-6-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(2-chlorophenyl)-6-[(morpholin-4-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1Cl)N1)=C(CN2CCOCC2)N(CC=C)C1=O)=O

InChI

InChI=1S/C21H26ClN3O4/c1-3-9-25-17(14-24-10-12-28-13-11-24)18(20(26)29-4-2)19(23-21(25)27)15-7-5-6-8-16(15)22/h3,5-8,19H,1,4,9-14H2,2H3,(H,23,27)/t19-/m0/s1

InChI Key

KWNHMCDIUZYLLK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19812339

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-3.45

Polar Surface Area

60.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with V019-5435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5435?
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What is the minimum amount of V019-5435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5435
  • 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 V019-5435 available by request