L218-0417 Screening compound: methyl 2-({2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate

L218-0417 Screening compound: methyl 2-({2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate
L218-0417 Screening compound: methyl 2-({2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L218-0417
methyl 2-({2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate

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

L218-0417

Molecular Formula

C26H19ClN4O4 (C26 H19 ClN4 O4)

Compound Name

methyl 2-({2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-{2-[11-(3-chlorophenyl)-13-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-246911-pentaen-8-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cccc1)c1N12)C2=NC(c2cccc(Cl)c2)=CC1=O)=O)=O

InChI

InChI=1S/C26H19ClN4O4/c1-35-25(34)18-9-2-3-10-19(18)28-23(32)15-30-21-11-4-5-12-22(21)31-24(33)14-20(29-26(30)31)16-7-6-8-17(27)13-16/h2-14H,15H2,1H3,(H,28,32)

InChI Key

INIDMDRAZNVPIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27236112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.38

Polar Surface Area

71.709

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

L218-0417 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L218-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L218-0417?
Check Price and Availability of L218-0417, 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 L218-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L218-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L218-0417
  • 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 L218-0417 available by request