C069-0856 Screening compound: 1-(5-bromo-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

C069-0856 Screening compound: 1-(5-bromo-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
C069-0856 Screening compound: 1-(5-bromo-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0856
1-(5-bromo-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-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

C069-0856

Molecular Formula

C22H26BrN3O3S (C22 H26 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-15-5-4-6-19(11-15)25-10-9-24(14-16(25)2)30(28,29)22-13-21-18(12-20(22)23)7-8-26(21)17(3)27/h4-6,11-13,16H,7-10,14H2,1-3H3/t16-/m0/s1

InChI Key

YURNYJJBZQOPNI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14716476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-3.90

Polar Surface Area

50.846

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C069-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0856?
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What is the minimum amount of C069-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0856
  • 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 C069-0856 available by request