C300-0168 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

C300-0168 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
C300-0168 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0168
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

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

C300-0168

Molecular Formula

C22H29BrN2O4S (C22 H29 BrN2 O4 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1-(35-dimethylpiperidin-1-yl)propan-1-one

SMILES

CC(CC(C)C1)CN1C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C22H29BrN2O4S/c1-14-9-15(2)13-24(12-14)21(26)6-8-30(28,29)20-11-19-17(10-18(20)23)5-7-25(19)22(27)16-3-4-16/h10-11,14-16H,3-9,12-13H2,1-2H3

InChI Key

RUMWOXDTMZDRQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.89

Polar Surface Area

61.464

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with C300-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0168?
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What is the minimum amount of C300-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0168
  • 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 C300-0168 available by request