C430-5387 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5387 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5387 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5387
ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-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

C430-5387

Molecular Formula

C24H34N4O6 (C24 H34 N4 O6)

Compound Name

ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)C)N1)=C(CN(CC2)CCN2C(OCC)=O)NC1=O)=O

InChI

InChI=1S/C24H34N4O6/c1-5-32-22(29)20-19(15-27-11-13-28(14-12-27)24(31)33-6-2)25-23(30)26-21(20)17-7-9-18(10-8-17)34-16(3)4/h7-10,16,21H,5-6,11-15H2,1-4H3,(H2,25,26,30)/t21-/m1/s1

InChI Key

FOEVNNGWHPIIGE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14757031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.89

Polar Surface Area

90.368

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

C430-5387 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-5387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5387?
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What is the minimum amount of C430-5387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5387
  • 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 C430-5387 available by request