C563-0401 Screening compound: 4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid

C563-0401 Screening compound: 4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid
C563-0401 Screening compound: 4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C563-0401
4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-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

C563-0401

Molecular Formula

C19H19ClN2O5S (C19 H19 ClN2 O5 S)

Compound Name

4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid

IUPAC name

4-{5-[(5-chloro-2-methylphenyl)sulfamoyl]-23-dihydro-1H-indol-1-yl}-4-oxobutanoic acid

SMILES

Cc(ccc(Cl)c1)c1NS(c(cc1)cc(CC2)c1N2C(CCC(O)=O)=O)(=O)=O

InChI

InChI=1S/C19H19ClN2O5S/c1-12-2-3-14(20)11-16(12)21-28(26,27)15-4-5-17-13(10-15)8-9-22(17)18(23)6-7-19(24)25/h2-5,10-11,21H,6-9H2,1H3,(H,24,25)

InChI Key

BQAGIWDTHFDLKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

-0.268

Water Solubility, LogSw

-3.31

Polar Surface Area

83.997

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C563-0401 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 C563-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C563-0401?
Check Price and Availability of C563-0401, 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 C563-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C563-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C563-0401
  • 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 C563-0401 available by request