C137-2185 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole

C137-2185 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole
C137-2185 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2185
5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-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

C137-2185

Molecular Formula

C24H28BrN3O3S (C24 H28 BrN3 O3 S)

Compound Name

5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole

IUPAC name

5-bromo-1-cyclopropanecarbonyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-indole

SMILES

CC(CN(CC1)S(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H28BrN3O3S/c1-16-4-3-5-20(12-16)27-11-10-26(15-17(27)2)32(30,31)23-14-22-19(13-21(23)25)8-9-28(22)24(29)18-6-7-18/h3-5,12-14,17-18H,6-11,15H2,1-2H3/t17-/m0/s1

InChI Key

LLIOSDIOGYHQAW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14721710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.47

Polar Surface Area

50.630

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

C137-2185 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C137-2185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2185?
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What is the minimum amount of C137-2185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2185
  • 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 C137-2185 available by request