E699-1382 Screening compound: 1-cyclobutanecarbonyl-5-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole

E699-1382 Screening compound: 1-cyclobutanecarbonyl-5-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole
E699-1382 Screening compound: 1-cyclobutanecarbonyl-5-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1382
1-cyclobutanecarbonyl-5-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-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

E699-1382

Molecular Formula

C26H33N3O3S (C26 H33 N3 O3 S)

Compound Name

1-cyclobutanecarbonyl-5-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-cyclobutanecarbonyl-5-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C26H33N3O3S/c1-18-7-8-19(2)25(15-18)27-11-13-28(14-12-27)33(31,32)23-9-10-24-22(17-23)16-20(3)29(24)26(30)21-5-4-6-21/h7-10,15,17,20-21H,4-6,11-14,16H2,1-3H3/t20-/m1/s1

InChI Key

ADNRNDMSGXEJAT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14910753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.46

Polar Surface Area

50.050

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E699-1382 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E699-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1382?
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What is the minimum amount of E699-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1382
  • 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 E699-1382 available by request