E667-0076 Screening compound: 1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one

E667-0076 Screening compound: 1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one
E667-0076 Screening compound: 1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0076
1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one

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

E667-0076

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one

IUPAC name

1-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-23-dihydro-1H-indol-1-yl}ethan-1-one

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCN1C1CCCCC1)(=O)=O

InChI

InChI=1S/C21H31N3O3S/c1-16-14-18-15-20(8-9-21(18)24(16)17(2)25)28(26,27)23-12-10-22(11-13-23)19-6-4-3-5-7-19/h8-9,15-16,19H,3-7,10-14H2,1-2H3/t16-/m1/s1

InChI Key

TYOXUVHTQVPWAB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14908838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.35

Polar Surface Area

50.400

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

E667-0076 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E667-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0076?
Check Price and Availability of E667-0076, 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 E667-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0076
  • 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 E667-0076 available by request