6658-0054 Screening compound: 1-(4,5-diphenyl-1H-imidazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-ol

6658-0054 Screening compound: 1-(4,5-diphenyl-1H-imidazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-ol
6658-0054 Screening compound: 1-(4,5-diphenyl-1H-imidazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0054
1-(4,5-diphenyl-1H-imidazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-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

6658-0054

Molecular Formula

C29H29N3O (C29 H29 N3 O)

Compound Name

1-(4,5-diphenyl-1H-imidazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-ol

IUPAC name

1-(45-diphenyl-1H-imidazol-1-yl)-3-(235-trimethyl-1H-indol-1-yl)propan-2-ol

SMILES

Cc1c(C)n(CC(Cn2c(-c3ccccc3)c(-c3ccccc3)nc2)O)c2c1cc(C)cc2

InChI

InChI=1S/C29H29N3O/c1-20-14-15-27-26(16-20)21(2)22(3)32(27)18-25(33)17-31-19-30-28(23-10-6-4-7-11-23)29(31)24-12-8-5-9-13-24/h4-16,19,25,33H,17-18H2,1-3H3/t25-/m0/s1

InChI Key

WPGWWJIFBYIKSM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05621220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.76

Polar Surface Area

28.282

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

6658-0054 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6658-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0054?
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What is the minimum amount of 6658-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0054
  • 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 6658-0054 available by request