C430-5307 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5307 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5307 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5307
ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]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

C430-5307

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-6-{[ethyl(phenyl)amino]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(CC(NC(NC1c(cc2)ccc2Cl)=O)=C1C(OCC)=O)c1ccccc1

InChI

InChI=1S/C22H24ClN3O3/c1-3-26(17-8-6-5-7-9-17)14-18-19(21(27)29-4-2)20(25-22(28)24-18)15-10-12-16(23)13-11-15/h5-13,20H,3-4,14H2,1-2H3,(H2,24,25,28)/t20-/m0/s1

InChI Key

ZRSVVMQXKSYJDH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14756985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.69

Polar Surface Area

59.792

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C430-5307 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C430-5307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5307?
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What is the minimum amount of C430-5307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5307
  • 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 C430-5307 available by request