V003-6751 Screening compound: 3-{1-[2,5-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-1H-indole

V003-6751 Screening compound: 3-{1-[2,5-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-1H-indole
V003-6751 Screening compound: 3-{1-[2,5-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6751
3-{1-[2,5-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-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

V003-6751

Molecular Formula

C21H17F7N2O2S (C21 H17 F7 N2 O2 S)

Compound Name

3-{1-[2,5-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-1H-indole

IUPAC name

3-{1-[25-bis(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-5-fluoro-1H-indole

SMILES

O=S(c1c(C(F)(F)F)ccc(C(F)(F)F)c1)(N(CC1)CCC1c1c[nH]c(cc2)c1cc2F)=O

InChI

InChI=1S/C21H17F7N2O2S/c22-14-2-4-18-15(10-14)16(11-29-18)12-5-7-30(8-6-12)33(31,32)19-9-13(20(23,24)25)1-3-17(19)21(26,27)28/h1-4,9-12,29H,5-8H2

InChI Key

JMVFNFAPUUVREY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-6.23

Polar Surface Area

41.549

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V003-6751 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 V003-6751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6751?
Check Price and Availability of V003-6751, 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 V003-6751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6751
  • 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 V003-6751 available by request