E699-1444 Screening compound: 1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

E699-1444 Screening compound: 1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
E699-1444 Screening compound: 1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1444
1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-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

E699-1444

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclobutanecarbonyl-N-(2-ethoxyphenyl)-2-methyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCOc(cccc1)c1NS(c(cc1)cc(CC2C)c1N2C(C1CCC1)=O)(=O)=O

InChI

InChI=1S/C22H26N2O4S/c1-3-28-21-10-5-4-9-19(21)23-29(26,27)18-11-12-20-17(14-18)13-15(2)24(20)22(25)16-7-6-8-16/h4-5,9-12,14-16,23H,3,6-8,13H2,1-2H3/t15-/m1/s1

InChI Key

MOVUOXFQSPBHDZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14910800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.81

Polar Surface Area

62.541

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E699-1444 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 E699-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1444?
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What is the minimum amount of E699-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1444
  • 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 E699-1444 available by request