C082-1114 Screening compound: 1-acetyl-5-bromo-N~6~-[2-(2-methylpiperidino)ethyl]-6-indolinesulfonamide

C082-1114 Screening compound: 1-acetyl-5-bromo-N~6~-[2-(2-methylpiperidino)ethyl]-6-indolinesulfonamide
C082-1114 Screening compound: 1-acetyl-5-bromo-N~6~-[2-(2-methylpiperidino)ethyl]-6-indolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-1114
1-acetyl-5-bromo-N~6~-[2-(2-methylpiperidino)ethyl]-6-indolinesulfonamide

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

C082-1114

Molecular Formula

C18H26BrN3O3S (C18 H26 BrN3 O3 S)

Compound Name

1-acetyl-5-bromo-N~6~-[2-(2-methylpiperidino)ethyl]-6-indolinesulfonamide

IUPAC name

n/a

SMILES

CC1N(CCNS(c(cc(c(CC2)c3)N2C(C)=O)c3Br)(=O)=O)CCCC1

InChI

InChI=1S/C18H26BrN3O3S/c1-13-5-3-4-8-21(13)10-7-20-26(24,25)18-12-17-15(11-16(18)19)6-9-22(17)14(2)23/h11-13,20H,3-10H2,1-2H3/t13-/m0/s1

InChI Key

VYJGMBJOHSVHFE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05029000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.67

Polar Surface Area

61.690

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

C082-1114 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C082-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-1114?
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What is the minimum amount of C082-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-1114
  • 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 C082-1114 available by request