8016-6246 Screening compound: 2-[2-(3-methoxyphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]-1-phenylethan-1-ol

8016-6246 Screening compound: 2-[2-(3-methoxyphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]-1-phenylethan-1-ol
8016-6246 Screening compound: 2-[2-(3-methoxyphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]-1-phenylethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6246
2-[2-(3-methoxyphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]-1-phenylethan-1-ol

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

8016-6246

Molecular Formula

C32H27N3O2 (C32 H27 N3 O2)

Compound Name

2-[2-(3-methoxyphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]-1-phenylethan-1-ol

IUPAC name

2-[2-(3-methoxyphenyl)-56-diphenyl-1H-[13]diazolo[12-a]imidazol-1-yl]-1-phenylethan-1-ol

SMILES

COc1cc(-c(n2CC(c3ccccc3)O)cn3c2nc(-c2ccccc2)c3-c2ccccc2)ccc1

InChI

InChI=1S/C32H27N3O2/c1-37-27-19-11-18-26(20-27)28-21-35-31(25-16-9-4-10-17-25)30(24-14-7-3-8-15-24)33-32(35)34(28)22-29(36)23-12-5-2-6-13-23/h2-21,29,36H,22H2,1H3/t29-/m0/s1

InChI Key

GUARAXQXNDYUND-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD05857878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.352

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-5.61

Polar Surface Area

34.222

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.40

8016-6246 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6246?
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What is the minimum amount of 8016-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6246
  • 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 8016-6246 available by request