V007-5904 Screening compound: 3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole

V007-5904 Screening compound: 3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole
V007-5904 Screening compound: 3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5904
3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole

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

V007-5904

Molecular Formula

C20H19F3N2O3S (C20 H19 F3 N2 O3 S)

Compound Name

3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole

IUPAC name

3-{1-[3-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1H-indole

SMILES

O=S(c1cc(OC(F)(F)F)ccc1)(N(CC1)CCC1c1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C20H19F3N2O3S/c21-20(22,23)28-15-4-3-5-16(12-15)29(26,27)25-10-8-14(9-11-25)18-13-24-19-7-2-1-6-17(18)19/h1-7,12-14,24H,8-11H2

InChI Key

OBJOAFMJTWXHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-5.16

Polar Surface Area

47.485

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V007-5904 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V007-5904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5904?
Check Price and Availability of V007-5904, 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 V007-5904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5904
  • 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 V007-5904 available by request