C137-2171 Screening compound: 5-bromo-6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole

C137-2171 Screening compound: 5-bromo-6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
C137-2171 Screening compound: 5-bromo-6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2171
5-bromo-6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-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

C137-2171

Molecular Formula

C22H30BrN3O3S (C22 H30 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CC1)N(CCc1c2)c1cc(S(N(CC1)CCN1C1CCCCC1)(=O)=O)c2Br

InChI

InChI=1S/C22H30BrN3O3S/c23-19-14-17-8-9-26(22(27)16-6-7-16)20(17)15-21(19)30(28,29)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h14-16,18H,1-13H2

InChI Key

YJFUOIASUXLUEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.92

Polar Surface Area

51.245

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

C137-2171 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C137-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2171?
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What is the minimum amount of C137-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2171
  • 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 C137-2171 available by request