C614-0729 Screening compound: 3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole

C614-0729 Screening compound: 3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole
C614-0729 Screening compound: 3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0729
3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-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

C614-0729

Molecular Formula

C21H21FN2O2S (C21 H21 FN2 O2 S)

Compound Name

3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole

IUPAC name

3-[1-(4-fluorobenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-12-dimethyl-1H-indole

SMILES

Cc(n(C)c1c2cccc1)c2C(CC1)=CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H21FN2O2S/c1-15-21(19-5-3-4-6-20(19)23(15)2)16-11-13-24(14-12-16)27(25,26)18-9-7-17(22)8-10-18/h3-11H,12-14H2,1-2H3

InChI Key

GUFUJTUNASPGHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.31

Polar Surface Area

33.960

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C614-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0729?
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What is the minimum amount of C614-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0729
  • 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 C614-0729 available by request