V031-1745 Screening compound: 2,5-bis(trifluoromethyl)phenyl [4-(5-methoxy-1H-indol-3-yl)piperidino] sulfone

V031-1745 Screening compound: 2,5-bis(trifluoromethyl)phenyl [4-(5-methoxy-1H-indol-3-yl)piperidino] sulfone
V031-1745 Screening compound: 2,5-bis(trifluoromethyl)phenyl [4-(5-methoxy-1H-indol-3-yl)piperidino] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1745
2,5-bis(trifluoromethyl)phenyl [4-(5-methoxy-1H-indol-3-yl)piperidino] sulfone

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

V031-1745

Molecular Formula

C22H20F6N2O3S (C22 H20 F6 N2 O3 S)

Compound Name

2,5-bis(trifluoromethyl)phenyl [4-(5-methoxy-1H-indol-3-yl)piperidino] sulfone

IUPAC name

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

SMILES

COc(cc1)cc2c1[nH]cc2C(CC1)CCN1S(c1c(C(F)(F)F)ccc(C(F)(F)F)c1)(=O)=O

InChI

InChI=1S/C22H20F6N2O3S/c1-33-15-3-5-19-16(11-15)17(12-29-19)13-6-8-30(9-7-13)34(31,32)20-10-14(21(23,24)25)2-4-18(20)22(26,27)28/h2-5,10-13,29H,6-9H2,1H3

InChI Key

ZGBKPSGTAUHBNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.79

Polar Surface Area

49.092

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

V031-1745 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 V031-1745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1745?
Check Price and Availability of V031-1745, 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 V031-1745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1745
  • 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 V031-1745 available by request