C137-2238 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

C137-2238 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole
C137-2238 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2238
5-bromo-1-cyclopropanecarbonyl-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

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

C137-2238

Molecular Formula

C19H25BrN2O3S (C19 H25 BrN2 O3 S)

Compound Name

5-bromo-1-cyclopropanecarbonyl-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

IUPAC name

5-bromo-1-cyclopropanecarbonyl-6-[(35-dimethylpiperidin-1-yl)sulfonyl]-23-dihydro-1H-indole

SMILES

CC(CC(C)C1)CN1S(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O

InChI

InChI=1S/C19H25BrN2O3S/c1-12-7-13(2)11-21(10-12)26(24,25)18-9-17-15(8-16(18)20)5-6-22(17)19(23)14-3-4-14/h8-9,12-14H,3-7,10-11H2,1-2H3

InChI Key

NYKSPOPRXLRAMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.22

Polar Surface Area

48.018

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

C137-2238 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C137-2238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2238?
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What is the minimum amount of C137-2238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2238
  • 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 C137-2238 available by request