C561-2895 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2895 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2895 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2895
ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-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

C561-2895

Molecular Formula

C30H40N4O8 (C30 H40 N4 O8)

Compound Name

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

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-2-oxo-6-({4-[(345-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN2CCN(Cc(cc3OC)cc(OC)c3OC)CC2)NC1=O)=O

InChI

InChI=1S/C30H40N4O8/c1-7-42-29(35)25-21(31-30(36)32-26(25)20-9-8-10-22(37-2)27(20)40-5)18-34-13-11-33(12-14-34)17-19-15-23(38-3)28(41-6)24(16-19)39-4/h8-10,15-16,26H,7,11-14,17-18H2,1-6H3,(H2,31,32,36)/t26-/m1/s1

InChI Key

KZADBWDYCYZIOL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14771786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-3.09

Polar Surface Area

102.651

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

C561-2895 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C561-2895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2895?
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What is the minimum amount of C561-2895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2895
  • 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 C561-2895 available by request