8018-6947 Screening compound: 3-[2-(4-methylphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]phenol

8018-6947 Screening compound: 3-[2-(4-methylphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]phenol
8018-6947 Screening compound: 3-[2-(4-methylphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6947
3-[2-(4-methylphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]phenol

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

8018-6947

Molecular Formula

C30H23N3O (C30 H23 N3 O)

Compound Name

3-[2-(4-methylphenyl)-5,6-diphenyl-1H-[1,3]diazolo[1,2-a]imidazol-1-yl]phenol

IUPAC name

3-[2-(4-methylphenyl)-56-diphenyl-1H-[13]diazolo[12-a]imidazol-1-yl]phenol

SMILES

Cc(cc1)ccc1-c(n1-c2cccc(O)c2)cn2c1nc(-c1ccccc1)c2-c1ccccc1

InChI

InChI=1S/C30H23N3O/c1-21-15-17-22(18-16-21)27-20-32-29(24-11-6-3-7-12-24)28(23-9-4-2-5-10-23)31-30(32)33(27)25-13-8-14-26(34)19-25/h2-20,34H,1H3

InChI Key

YASVWSFJINYQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.997

Distribution Coefficient, logD

6.752

Water Solubility, LogSw

-5.72

Polar Surface Area

28.887

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

8018-6947 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6947?
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What is the minimum amount of 8018-6947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6947
  • 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 8018-6947 available by request