8008-5888 Screening compound: 3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole

8008-5888 Screening compound: 3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole
8008-5888 Screening compound: 3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5888
3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole

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

8008-5888

Molecular Formula

C20H18N2 (C20 H18 N2)

Compound Name

3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole

IUPAC name

3-methyl-46-diphenyl-45-dihydro-1H-indazole

SMILES

Cc1n[nH]c(C=C(C2)c3ccccc3)c1C2c1ccccc1

InChI

InChI=1S/C20H18N2/c1-14-20-18(16-10-6-3-7-11-16)12-17(13-19(20)22-21-14)15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3,(H,21,22)/t18-/m1/s1

InChI Key

ZUSIICUPKNHFQY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00713721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.51

Polar Surface Area

24.455

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

8008-5888 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8008-5888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5888?
Check Price and Availability of 8008-5888, 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 8008-5888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5888
  • 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 8008-5888 available by request