E589-2926 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide

E589-2926 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide
E589-2926 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2926
4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide

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

E589-2926

Molecular Formula

C25H30FN3O4S (C25 H30 FN3 O4 S)

Compound Name

4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide

IUPAC name

4-[(1-acetyl-2-methyl-23-dihydro-1H-indole-5-sulfonamido)methyl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(NCC(CC1)CCC1C(Nc1cc(F)ccc1)=O)(=O)=O

InChI

InChI=1S/C25H30FN3O4S/c1-16-12-20-13-23(10-11-24(20)29(16)17(2)30)34(32,33)27-15-18-6-8-19(9-7-18)25(31)28-22-5-3-4-21(26)14-22/h3-5,10-11,13-14,16,18-19,27H,6-9,12,15H2,1-2H3,(H,28,31)/t16-,18?,19?/m1/s1

InChI Key

BXMIEGMPVVWIEQ-IPJUCJBFSA-N

MDL Number (MFCD)

MFCD14900757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.02

Polar Surface Area

80.637

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E589-2926 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 E589-2926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2926?
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What is the minimum amount of E589-2926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2926
  • 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 E589-2926 available by request