S322-0021 Screening compound: 1-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}propan-2-ol

S322-0021 Screening compound: 1-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}propan-2-ol
S322-0021 Screening compound: 1-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0021
1-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-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

S322-0021

Molecular Formula

C15H19FN2O (C15 H19 FN2 O)

Compound Name

1-{8-fluoro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}propan-2-ol

IUPAC name

1-{8-fluoro-2-methyl-1H2H3H4H5H-pyrido[43-b]indol-5-yl}propan-2-ol

SMILES

CC(Cn1c(ccc(F)c2)c2c2c1CCN(C)C2)O

InChI

InChI=1S/C15H19FN2O/c1-10(19)8-18-14-4-3-11(16)7-12(14)13-9-17(2)6-5-15(13)18/h3-4,7,10,19H,5-6,8-9H2,1-2H3/t10-/m0/s1

InChI Key

AKXWZXCQFQBVLV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27617957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.968

Distribution Coefficient, logD

-1.828

Water Solubility, LogSw

-2.05

Polar Surface Area

21.504

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

S322-0021 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S322-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0021?
Check Price and Availability of S322-0021, 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 S322-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0021
  • 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 S322-0021 available by request