C450-0662 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide

C450-0662 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide
C450-0662 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0662
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide

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

C450-0662

Molecular Formula

C23H28BrN3O4S (C23 H28 BrN3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(4-bromo-2-methylphenyl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc(cc1)c(C)cc1Br)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C23H28BrN3O4S/c1-14(2)11-21(23(29)25-20-7-5-18(24)12-15(20)3)26-32(30,31)19-6-8-22-17(13-19)9-10-27(22)16(4)28/h5-8,12-14,21,26H,9-11H2,1-4H3,(H,25,29)/t21-/m0/s1

InChI Key

MVVRAUYIWKEGTN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14759459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.18

Polar Surface Area

80.924

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C450-0662 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 C450-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0662?
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What is the minimum amount of C450-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0662
  • 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 C450-0662 available by request