L218-0122 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(3-pyridyl)pyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetamide

L218-0122 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(3-pyridyl)pyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetamide
L218-0122 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(3-pyridyl)pyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L218-0122
N~1~-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(3-pyridyl)pyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetamide

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

L218-0122

Molecular Formula

C24H18ClN5O3 (C24 H18 ClN5 O3)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(3-pyridyl)pyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[13-oxo-11-(pyridin-3-yl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246911-pentaen-8-yl]acetamide

SMILES

COc(ccc(NC(CN(c(cccc1)c1N12)C2=NC(c2cnccc2)=CC1=O)=O)c1)c1Cl

InChI

InChI=1S/C24H18ClN5O3/c1-33-21-9-8-16(11-17(21)25)27-22(31)14-29-19-6-2-3-7-20(19)30-23(32)12-18(28-24(29)30)15-5-4-10-26-13-15/h2-13H,14H2,1H3,(H,27,31)

InChI Key

JCPXHMHOEQFASR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27236067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.53

Polar Surface Area

68.382

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

L218-0122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L218-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L218-0122?
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What is the minimum amount of L218-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L218-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L218-0122
  • 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 L218-0122 available by request