V001-4453 Screening compound: 1-{5-benzyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}decan-1-one

V001-4453 Screening compound: 1-{5-benzyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}decan-1-one
V001-4453 Screening compound: 1-{5-benzyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}decan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4453
1-{5-benzyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}decan-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

V001-4453

Molecular Formula

C28H36N2O (C28 H36 N2 O)

Compound Name

1-{5-benzyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}decan-1-one

IUPAC name

1-{5-benzyl-1H2H3H4H5H-pyrido[43-b]indol-2-yl}decan-1-one

SMILES

CCCCCCCCCC(N(CC1)Cc2c1n(Cc1ccccc1)c1c2cccc1)=O

InChI

InChI=1S/C28H36N2O/c1-2-3-4-5-6-7-11-18-28(31)29-20-19-27-25(22-29)24-16-12-13-17-26(24)30(27)21-23-14-9-8-10-15-23/h8-10,12-17H,2-7,11,18-22H2,1H3

InChI Key

KLGWSADCRFHCJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14289438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.324

Distribution Coefficient, logD

7.324

Water Solubility, LogSw

-5.96

Polar Surface Area

17.478

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

V001-4453 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V001-4453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4453?
Check Price and Availability of V001-4453, 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 V001-4453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4453
  • 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 V001-4453 available by request