C137-2278 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole

C137-2278 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole
C137-2278 Screening compound: 5-bromo-1-cyclopropanecarbonyl-6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2278
5-bromo-1-cyclopropanecarbonyl-6-{[4-(2-fluorophenyl)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

C137-2278

Molecular Formula

C22H23BrFN3O3S (C22 H23 BrFN3 O3 S)

Compound Name

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

IUPAC name

5-bromo-1-cyclopropanecarbonyl-6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-indole

SMILES

O=C(C1CC1)N(CCc1c2)c1cc(S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)c2Br

InChI

InChI=1S/C22H23BrFN3O3S/c23-17-13-16-7-8-27(22(28)15-5-6-15)20(16)14-21(17)31(29,30)26-11-9-25(10-12-26)19-4-2-1-3-18(19)24/h1-4,13-15H,5-12H2

InChI Key

XCEPEOKNDVAZAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.41

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

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.27

Polar Surface Area

51.111

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C137-2278 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 C137-2278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2278?
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What is the minimum amount of C137-2278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2278
  • 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 C137-2278 available by request