E570-4095 Screening compound: 2-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

E570-4095 Screening compound: 2-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
E570-4095 Screening compound: 2-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E570-4095
2-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

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

E570-4095

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

2-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

IUPAC name

2-(1-acetyl-2-methyl-23-dihydro-1H-indole-5-sulfonamido)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

SMILES

CC(C)C(C(NCc(cc1)ccc1OC)=O)NS(c(cc1)cc(CC2C)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-15(2)23(24(29)25-14-18-6-8-20(32-5)9-7-18)26-33(30,31)21-10-11-22-19(13-21)12-16(3)27(22)17(4)28/h6-11,13,15-16,23,26H,12,14H2,1-5H3,(H,25,29)

InChI Key

RQFDNIUCTIUZJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-3.13

Polar Surface Area

89.148

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

E570-4095 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E570-4095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E570-4095?
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What is the minimum amount of E570-4095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E570-4095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E570-4095
  • 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 E570-4095 available by request