V005-9053 Screening compound: 1-pentyl-3-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-1H-indole

V005-9053 Screening compound: 1-pentyl-3-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-1H-indole
V005-9053 Screening compound: 1-pentyl-3-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9053
1-pentyl-3-{1-[3-(trifluoromethyl)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

V005-9053

Molecular Formula

C25H29F3N2O2S (C25 H29 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCn1c(cccc2)c2c(C(CC2)CCN2S(c2cc(C(F)(F)F)ccc2)(=O)=O)c1

InChI

InChI=1S/C25H29F3N2O2S/c1-2-3-6-14-29-18-23(22-10-4-5-11-24(22)29)19-12-15-30(16-13-19)33(31,32)21-9-7-8-20(17-21)25(26,27)28/h4-5,7-11,17-19H,2-3,6,12-16H2,1H3

InChI Key

QHMFSNFZWXYERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-6.08

Polar Surface Area

33.660

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

V005-9053 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-9053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9053?
Check Price and Availability of V005-9053, 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 V005-9053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9053
  • 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 V005-9053 available by request