V005-9065 Screening compound: 3-[1-(2,4-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

V005-9065 Screening compound: 3-[1-(2,4-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole
V005-9065 Screening compound: 3-[1-(2,4-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9065
3-[1-(2,4-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-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

V005-9065

Molecular Formula

C28H25Cl2F3N2O2S (C28 H25 Cl2 F3 N2 O2 S)

Compound Name

3-[1-(2,4-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

IUPAC name

3-[1-(24-dichloro-5-methylbenzenesulfonyl)piperidin-4-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole

SMILES

Cc(c(Cl)c1)cc(S(N(CC2)CCC2c2cn(Cc3ccc(C(F)(F)F)cc3)c3c2cccc3)(=O)=O)c1Cl

InChI

InChI=1S/C28H25Cl2F3N2O2S/c1-18-14-27(25(30)15-24(18)29)38(36,37)35-12-10-20(11-13-35)23-17-34(26-5-3-2-4-22(23)26)16-19-6-8-21(9-7-19)28(31,32)33/h2-9,14-15,17,20H,10-13,16H2,1H3

InChI Key

QKFJRUZTVNVBOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.984

Distribution Coefficient, logD

7.984

Water Solubility, LogSw

-6.69

Polar Surface Area

33.410

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V005-9065 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 V005-9065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9065?
Check Price and Availability of V005-9065, 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 V005-9065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9065
  • 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 V005-9065 available by request