E699-1367 Screening compound: 1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide

E699-1367 Screening compound: 1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
E699-1367 Screening compound: 1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1367
1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)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

E699-1367

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclobutanecarbonyl-2-methyl-N-[(4-methylphenyl)methyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(NCc1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-15-6-8-17(9-7-15)14-23-28(26,27)20-10-11-21-19(13-20)12-16(2)24(21)22(25)18-4-3-5-18/h6-11,13,16,18,23H,3-5,12,14H2,1-2H3/t16-/m1/s1

InChI Key

RCSOCZODAIEZPY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14910741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.85

Polar Surface Area

57.138

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E699-1367 in Drug Discovery

Included in Screening Libraries

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 E699-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1367?
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What is the minimum amount of E699-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1367
  • 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 E699-1367 available by request