C450-0035 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-3-methylbutanamide

C450-0035 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-3-methylbutanamide
C450-0035 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0035
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-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

C450-0035

Molecular Formula

C19H29N3O4S (C19 H29 N3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-3-methylbutanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(butan-2-yl)-3-methylbutanamide

SMILES

CCC(C)NC(C(C(C)C)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C19H29N3O4S/c1-6-13(4)20-19(24)18(12(2)3)21-27(25,26)16-7-8-17-15(11-16)9-10-22(17)14(5)23/h7-8,11-13,18,21H,6,9-10H2,1-5H3,(H,20,24)

InChI Key

JIBQNBMIQVBELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.52

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

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.80

Polar Surface Area

82.378

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

C450-0035 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 C450-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0035?
Check Price and Availability of C450-0035, 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 C450-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0035
  • 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 C450-0035 available by request