C069-0882 Screening compound: 1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-2,3-dihydro-1H-indol-1-yl}ethan-1-one

C069-0882 Screening compound: 1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-2,3-dihydro-1H-indol-1-yl}ethan-1-one
C069-0882 Screening compound: 1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-2,3-dihydro-1H-indol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0882
1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-2,3-dihydro-1H-indol-1-yl}ethan-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

C069-0882

Molecular Formula

C22H25BrN2O3S (C22 H25 BrN2 O3 S)

Compound Name

1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-2,3-dihydro-1H-indol-1-yl}ethan-1-one

IUPAC name

1-{6-[(4-benzylpiperidin-1-yl)sulfonyl]-5-bromo-23-dihydro-1H-indol-1-yl}ethan-1-one

SMILES

CC(N(CCc1c2)c1cc(S(N1CCC(Cc3ccccc3)CC1)(=O)=O)c2Br)=O

InChI

InChI=1S/C22H25BrN2O3S/c1-16(26)25-12-9-19-14-20(23)22(15-21(19)25)29(27,28)24-10-7-18(8-11-24)13-17-5-3-2-4-6-17/h2-6,14-15,18H,7-13H2,1H3

InChI Key

SVIQUURYFHZMBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.36

Polar Surface Area

48.096

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C069-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0882?
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What is the minimum amount of C069-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0882
  • 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 C069-0882 available by request