C430-5440 Screening compound: ethyl 6-({[(furan-2-yl)methyl](2-methoxyethyl)amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5440 Screening compound: ethyl 6-({[(furan-2-yl)methyl](2-methoxyethyl)amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5440 Screening compound: ethyl 6-({[(furan-2-yl)methyl](2-methoxyethyl)amino}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 C430-5440
ethyl 6-({[(furan-2-yl)methyl](2-methoxyethyl)amino}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

C430-5440

Molecular Formula

C25H33N3O6 (C25 H33 N3 O6)

Compound Name

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

IUPAC name

ethyl 6-({[(furan-2-yl)methyl](2-methoxyethyl)amino}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(CCOC)Cc2ccco2)NC1=O)=O

InChI

InChI=1S/C25H33N3O6/c1-5-32-24(29)22-21(16-28(12-14-31-4)15-20-7-6-13-33-20)26-25(30)27-23(22)18-8-10-19(11-9-18)34-17(2)3/h6-11,13,17,23H,5,12,14-16H2,1-4H3,(H2,26,27,30)/t23-/m1/s1

InChI Key

QFQITWILMOWQJP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14757079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.17

Polar Surface Area

83.636

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C430-5440 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C430-5440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5440?
Check Price and Availability of C430-5440, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C430-5440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5440
  • 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 C430-5440 available by request