C614-0772 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

C614-0772 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
C614-0772 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0772
3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-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

C614-0772

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

IUPAC name

3-[1-(4-tert-butylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

SMILES

CC(C)(C)c(cc1)ccc1S(N(CC1)CCC1c1c(C)[nH]c2c1cccc2)(=O)=O

InChI

InChI=1S/C24H30N2O2S/c1-17-23(21-7-5-6-8-22(21)25-17)18-13-15-26(16-14-18)29(27,28)20-11-9-19(10-12-20)24(2,3)4/h5-12,18,25H,13-16H2,1-4H3

InChI Key

XTHDAGRUDYYCHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.984

Water Solubility, LogSw

-5.91

Polar Surface Area

41.604

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C614-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0772?
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What is the minimum amount of C614-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0772
  • 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 C614-0772 available by request