E667-0321 Screening compound: 6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3,4,9-tetrahydro-1H-carbazole

E667-0321 Screening compound: 6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3,4,9-tetrahydro-1H-carbazole
E667-0321 Screening compound: 6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3,4,9-tetrahydro-1H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0321
6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3,4,9-tetrahydro-1H-carbazole

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

E667-0321

Molecular Formula

C23H24F3N3O2S (C23 H24 F3 N3 O2 S)

Compound Name

6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3,4,9-tetrahydro-1H-carbazole

IUPAC name

6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2349-tetrahydro-1H-carbazole

SMILES

O=S(c(cc1)cc2c1[nH]c1c2CCCC1)(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C23H24F3N3O2S/c24-23(25,26)16-4-3-5-17(14-16)28-10-12-29(13-11-28)32(30,31)18-8-9-22-20(15-18)19-6-1-2-7-21(19)27-22/h3-5,8-9,14-15,27H,1-2,6-7,10-13H2

InChI Key

AUTNUXPZSZNSGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.46

Polar Surface Area

45.980

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E667-0321 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E667-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0321?
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What is the minimum amount of E667-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0321
  • 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 E667-0321 available by request