E667-0087 Screening compound: 1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

E667-0087 Screening compound: 1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
E667-0087 Screening compound: 1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0087
1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

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

E667-0087

Molecular Formula

C18H19ClN2O3S (C18 H19 ClN2 O3 S)

Compound Name

1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-(3-chloro-4-methylphenyl)-2-methyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(Nc1cc(Cl)c(C)cc1)(=O)=O

InChI

InChI=1S/C18H19ClN2O3S/c1-11-4-5-15(10-17(11)19)20-25(23,24)16-6-7-18-14(9-16)8-12(2)21(18)13(3)22/h4-7,9-10,12,20H,8H2,1-3H3/t12-/m1/s1

InChI Key

WMSSZPCEEIAKMY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09285912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.28

Polar Surface Area

56.245

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E667-0087 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E667-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0087?
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What is the minimum amount of E667-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0087
  • 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 E667-0087 available by request