1080-0381 Screening compound: 2-(4-methylphenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

1080-0381 Screening compound: 2-(4-methylphenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole
1080-0381 Screening compound: 2-(4-methylphenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0381
2-(4-methylphenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

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

1080-0381

Molecular Formula

C23H19N3 (C23 H19 N3)

Compound Name

2-(4-methylphenyl)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

IUPAC name

11-(4-methylphenyl)-13-phenyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

Cc(cc1)ccc1C(N1)=CC(c2ccccc2)n2c1nc1c2cccc1

InChI

InChI=1S/C23H19N3/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)26-21-10-6-5-9-19(21)24-23(26)25-20/h2-15,22H,1H3,(H,24,25)/t22-/m0/s1

InChI Key

GDSIEEOERMPDBL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00488868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.963

Distribution Coefficient, logD

5.963

Water Solubility, LogSw

-5.93

Polar Surface Area

24.644

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

1080-0381 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 1080-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0381?
Check Price and Availability of 1080-0381, 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 1080-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0381
  • 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 1080-0381 available by request