C137-2161 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

C137-2161 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole
C137-2161 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-[(3-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2161
5-bromo-1-cyclopropanecarbonyl-6-[(3-methylpiperidin-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

C137-2161

Molecular Formula

C18H23BrN2O3S (C18 H23 BrN2 O3 S)

Compound Name

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

IUPAC name

5-bromo-1-cyclopropanecarbonyl-6-[(3-methylpiperidin-1-yl)sulfonyl]-23-dihydro-1H-indole

SMILES

CC(CCC1)CN1S(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O

InChI

InChI=1S/C18H23BrN2O3S/c1-12-3-2-7-20(11-12)25(23,24)17-10-16-14(9-15(17)19)6-8-21(16)18(22)13-4-5-13/h9-10,12-13H,2-8,11H2,1H3/t12-/m0/s1

InChI Key

SPVJLRWUHCNINP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14721692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.36

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

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.86

Polar Surface Area

48.085

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

C137-2161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C137-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2161?
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What is the minimum amount of C137-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2161
  • 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 C137-2161 available by request