L218-0401 Screening compound: methyl 2-({2-[2-(3-methoxyphenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate

L218-0401 Screening compound: methyl 2-({2-[2-(3-methoxyphenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate
L218-0401 Screening compound: methyl 2-({2-[2-(3-methoxyphenyl)-4-oxopyrimido[1,2-a][1,3]benzimidazol-10(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L218-0401
methyl 2-({2-[2-(3-methoxyphenyl)-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

L218-0401

Molecular Formula

C27H22N4O5 (C27 H22 N4 O5)

Compound Name

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

IUPAC name

methyl 2-{2-[11-(3-methoxyphenyl)-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(c2cc(OC)ccc2)=CC1=O)=O)=O

InChI

InChI=1S/C27H22N4O5/c1-35-18-9-7-8-17(14-18)21-15-25(33)31-23-13-6-5-12-22(23)30(27(31)29-21)16-24(32)28-20-11-4-3-10-19(20)26(34)36-2/h3-15H,16H2,1-2H3,(H,28,32)

InChI Key

CMDDVOQBMOVGGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18171460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.91

Polar Surface Area

79.253

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L218-0401 in Drug Discovery

Included in Screening Libraries

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 L218-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L218-0401?
Check Price and Availability of L218-0401, 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 L218-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L218-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L218-0401
  • 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 L218-0401 available by request