C137-2216 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole

C137-2216 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
C137-2216 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2216
6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-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

C137-2216

Molecular Formula

C24H27BrN2O3S (C24 H27 BrN2 O3 S)

Compound Name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole

IUPAC name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indole

SMILES

O=C(C1CC1)N(CCc1c2)c1cc(S(N1CCC(Cc3ccccc3)CC1)(=O)=O)c2Br

InChI

InChI=1S/C24H27BrN2O3S/c25-21-15-20-10-13-27(24(28)19-6-7-19)22(20)16-23(21)31(29,30)26-11-8-18(9-12-26)14-17-4-2-1-3-5-17/h1-5,15-16,18-19H,6-14H2

InChI Key

TVSWWEXBGSVAOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.58

Polar Surface Area

47.880

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

C137-2216 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 C137-2216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2216?
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What is the minimum amount of C137-2216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2216
  • 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 C137-2216 available by request