C450-0269 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-3-methylbutanamide

C450-0269 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-3-methylbutanamide
C450-0269 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0269
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-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

C450-0269

Molecular Formula

C27H38N4O4S (C27 H38 N4 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-3-methylbutanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-{3-[benzyl(ethyl)amino]propyl}-3-methylbutanamide

SMILES

CCN(CCCNC(C(C(C)C)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C27H38N4O4S/c1-5-30(19-22-10-7-6-8-11-22)16-9-15-28-27(33)26(20(2)3)29-36(34,35)24-12-13-25-23(18-24)14-17-31(25)21(4)32/h6-8,10-13,18,20,26,29H,5,9,14-17,19H2,1-4H3,(H,28,33)/t26-/m0/s1

InChI Key

FRYCSAVUFLQGDY-SANMLTNESA-N

MDL Number (MFCD)

MFCD14759356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

1.197

Water Solubility, LogSw

-3.53

Polar Surface Area

86.193

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C450-0269 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 C450-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0269?
Check Price and Availability of C450-0269, 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 C450-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0269
  • 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 C450-0269 available by request