C430-5339 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5339 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5339 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5339
ethyl 4-(4-chlorophenyl)-6-{[4-(2,3-dimethylphenyl)piperazin-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

C430-5339

Molecular Formula

C26H31ClN4O3 (C26 H31 ClN4 O3)

Compound Name

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

IUPAC name

ethyl 4-(4-chlorophenyl)-6-{[4-(23-dimethylphenyl)piperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1)=C(CN(CC2)CCN2c2c(C)c(C)ccc2)NC1=O)=O

InChI

InChI=1S/C26H31ClN4O3/c1-4-34-25(32)23-21(28-26(33)29-24(23)19-8-10-20(27)11-9-19)16-30-12-14-31(15-13-30)22-7-5-6-17(2)18(22)3/h5-11,24H,4,12-16H2,1-3H3,(H2,28,29,33)/t24-/m0/s1

InChI Key

AQAXNGYPOJWNQU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05257899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.73

Polar Surface Area

63.744

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C430-5339 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-5339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5339?
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What is the minimum amount of C430-5339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5339
  • 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 C430-5339 available by request