8563-0918 Screening compound: 2-methyl-N~3~-(4-methylphenyl)-4-(4-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8563-0918 Screening compound: 2-methyl-N~3~-(4-methylphenyl)-4-(4-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8563-0918 Screening compound: 2-methyl-N~3~-(4-methylphenyl)-4-(4-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0918
2-methyl-N~3~-(4-methylphenyl)-4-(4-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

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

8563-0918

Molecular Formula

C24H21N5O (C24 H21 N5 O)

Compound Name

2-methyl-N~3~-(4-methylphenyl)-4-(4-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

11-methyl-N-(4-methylphenyl)-13-(pyridin-4-yl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

Cc(cc1)ccc1NC(C1=C(C)Nc2nc(cccc3)c3n2C1c1ccncc1)=O

InChI

InChI=1S/C24H21N5O/c1-15-7-9-18(10-8-15)27-23(30)21-16(2)26-24-28-19-5-3-4-6-20(19)29(24)22(21)17-11-13-25-14-12-17/h3-14,22H,1-2H3,(H,26,28)(H,27,30)/t22-/m0/s1

InChI Key

VRXJSTDYIJNGIA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08088705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.10

Polar Surface Area

56.553

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8563-0918 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0918?
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What is the minimum amount of 8563-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0918
  • 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 8563-0918 available by request