V008-4499 Screening compound: (5-nitro-2-furyl)(4-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}piperidino)methanone

V008-4499 Screening compound: (5-nitro-2-furyl)(4-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}piperidino)methanone
V008-4499 Screening compound: (5-nitro-2-furyl)(4-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4499
(5-nitro-2-furyl)(4-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}piperidino)methanone

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

V008-4499

Molecular Formula

C26H22F3N3O4 (C26 H22 F3 N3 O4)

Compound Name

(5-nitro-2-furyl)(4-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}piperidino)methanone

IUPAC name

3-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

SMILES

[O-][N+](c1ccc(C(N(CC2)CCC2c2cn(Cc3ccc(C(F)(F)F)cc3)c3c2cccc3)=O)o1)=O

InChI

InChI=1S/C26H22F3N3O4/c27-26(28,29)19-7-5-17(6-8-19)15-31-16-21(20-3-1-2-4-22(20)31)18-11-13-30(14-12-18)25(33)23-9-10-24(36-23)32(34)35/h1-10,16,18H,11-15H2

InChI Key

MPDHOEKNGWHUMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.67

Polar Surface Area

61.008

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

V008-4499 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 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 V008-4499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4499?
Check Price and Availability of V008-4499, 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 V008-4499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4499
  • 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 V008-4499 available by request