C450-0701 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-methylpentanamide

C450-0701 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-methylpentanamide
C450-0701 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0701
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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

C450-0701

Molecular Formula

C25H31N3O6S (C25 H31 N3 O6 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-methylpentanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-4-methylpentanamide

SMILES

CC(C)CC(C(NCC1Oc(cccc2)c2OC1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C25H31N3O6S/c1-16(2)12-21(25(30)26-14-19-15-33-23-6-4-5-7-24(23)34-19)27-35(31,32)20-8-9-22-18(13-20)10-11-28(22)17(3)29/h4-9,13,16,19,21,27H,10-12,14-15H2,1-3H3,(H,26,30)

InChI Key

UOFOVBSHZMFHEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.61

Polar Surface Area

98.623

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

C450-0701 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C450-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0701?
Check Price and Availability of C450-0701, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C450-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0701
  • 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 C450-0701 available by request