C563-0409 Screening compound: 4-[5-(dibutylsulfamoyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

C563-0409 Screening compound: 4-[5-(dibutylsulfamoyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid
C563-0409 Screening compound: 4-[5-(dibutylsulfamoyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C563-0409
4-[5-(dibutylsulfamoyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

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

C563-0409

Molecular Formula

C20H30N2O5S (C20 H30 N2 O5 S)

Compound Name

4-[5-(dibutylsulfamoyl)-2,3-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[5-(dibutylsulfamoyl)-23-dihydro-1H-indol-1-yl]-4-oxobutanoic acid

SMILES

CCCCN(CCCC)S(c(cc1)cc(CC2)c1N2C(CCC(O)=O)=O)(=O)=O

InChI

InChI=1S/C20H30N2O5S/c1-3-5-12-21(13-6-4-2)28(26,27)17-7-8-18-16(15-17)11-14-22(18)19(23)9-10-20(24)25/h7-8,15H,3-6,9-14H2,1-2H3,(H,24,25)

InChI Key

VQTVLSZSNGDCGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

0.290

Water Solubility, LogSw

-3.61

Polar Surface Area

75.649

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C563-0409 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C563-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C563-0409?
Check Price and Availability of C563-0409, 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 C563-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C563-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C563-0409
  • 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 C563-0409 available by request