C300-0161 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

C300-0161 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
C300-0161 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0161
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

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

C300-0161

Molecular Formula

C22H22BrFN2O4S (C22 H22 BrFN2 O4 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

SMILES

O=C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)NCc(cc1)ccc1F

InChI

InChI=1S/C22H22BrFN2O4S/c23-18-11-16-7-9-26(22(28)15-3-4-15)19(16)12-20(18)31(29,30)10-8-21(27)25-13-14-1-5-17(24)6-2-14/h1-2,5-6,11-12,15H,3-4,7-10,13H2,(H,25,27)

InChI Key

KHAGBYFBPSBHOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.56

Polar Surface Area

69.677

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with C300-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0161?
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What is the minimum amount of C300-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0161
  • 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 C300-0161 available by request