L328-0123 Screening compound: ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-carboxylate

L328-0123 Screening compound: ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-carboxylate
L328-0123 Screening compound: ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L328-0123
ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-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

L328-0123

Molecular Formula

C21H33N5O5 (C21 H33 N5 O5)

Compound Name

ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[1-(3-ethyl-1-methyl-26-dioxo-1236-tetrahydropyrimidin-4-yl)piperidine-3-amido]piperidine-1-carboxylate

SMILES

CCN(C(N(CCC1)CC1C(NC(CC1)CCN1C(OCC)=O)=O)=CC(N1C)=O)C1=O

InChI

InChI=1S/C21H33N5O5/c1-4-26-17(13-18(27)23(3)20(26)29)25-10-6-7-15(14-25)19(28)22-16-8-11-24(12-9-16)21(30)31-5-2/h13,15-16H,4-12,14H2,1-3H3,(H,22,28)/t15-/m0/s1

InChI Key

XTDMKQFYUIZLCO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27246075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

0.970

Water Solubility, LogSw

-1.41

Polar Surface Area

82.535

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

L328-0123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L328-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L328-0123?
Check Price and Availability of L328-0123, 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 L328-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L328-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L328-0123
  • 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 L328-0123 available by request