E746-0681 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-1-one

E746-0681 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-1-one
E746-0681 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E746-0681
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-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

E746-0681

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-1-one

IUPAC name

3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)butan-1-one

SMILES

CC(CC(N(CC1)CCN1c1ccccc1)=O)S(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C24H29N3O4S/c1-18(16-24(29)26-14-12-25(13-15-26)21-6-4-3-5-7-21)32(30,31)22-8-9-23-20(17-22)10-11-27(23)19(2)28/h3-9,17-18H,10-16H2,1-2H3/t18-/m0/s1

InChI Key

LHLUGMMSLZHVAK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14914918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.999

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-2.72

Polar Surface Area

65.810

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E746-0681 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E746-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E746-0681?
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What is the minimum amount of E746-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E746-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E746-0681
  • 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 E746-0681 available by request