C430-5413 Screening compound: ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5413 Screening compound: ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5413 Screening compound: ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]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 C430-5413
ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]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

C430-5413

Molecular Formula

C29H36N4O6 (C29 H36 N4 O6)

Compound Name

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

IUPAC name

ethyl 6-({4-[(2H-13-benzodioxol-5-yl)methyl]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(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)NC1=O)=O

InChI

InChI=1S/C29H36N4O6/c1-4-36-28(34)26-23(30-29(35)31-27(26)21-6-8-22(9-7-21)39-19(2)3)17-33-13-11-32(12-14-33)16-20-5-10-24-25(15-20)38-18-37-24/h5-10,15,19,27H,4,11-14,16-18H2,1-3H3,(H2,30,31,35)/t27-/m1/s1

InChI Key

HTYYFWFXIAGTKF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14757055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.30

Polar Surface Area

88.243

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

C430-5413 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 C430-5413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5413?
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What is the minimum amount of C430-5413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5413
  • 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 C430-5413 available by request