5737-0006 Screening compound: 9-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

5737-0006 Screening compound: 9-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one
5737-0006 Screening compound: 9-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5737-0006
9-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

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

5737-0006

Molecular Formula

C30H28N4O2 (C30 H28 N4 O2)

Compound Name

9-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

9-[3-(45-diphenyl-1H-imidazol-1-yl)-2-hydroxypropyl]-2-methyl-1H2H3H4H9H-pyrido[34-b]indol-1-one

SMILES

CN(CCc1c2n(CC(Cn3c(-c4ccccc4)c(-c4ccccc4)nc3)O)c3c1cccc3)C2=O

InChI

InChI=1S/C30H28N4O2/c1-32-17-16-25-24-14-8-9-15-26(24)34(29(25)30(32)36)19-23(35)18-33-20-31-27(21-10-4-2-5-11-21)28(33)22-12-6-3-7-13-22/h2-15,20,23,35H,16-19H2,1H3/t23-/m0/s1

InChI Key

GEMYLMLESXPANP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03672013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.01

Polar Surface Area

44.257

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5737-0006 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5737-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5737-0006?
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What is the minimum amount of 5737-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5737-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5737-0006
  • 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 5737-0006 available by request