C069-0812 Screening compound: 1-acetyl-5-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-6-sulfonamide

C069-0812 Screening compound: 1-acetyl-5-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-6-sulfonamide
C069-0812 Screening compound: 1-acetyl-5-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0812
1-acetyl-5-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-6-sulfonamide

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

C069-0812

Molecular Formula

C16H14BrClN2O3S (C16 H14 BrClN2 O3 S)

Compound Name

1-acetyl-5-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

1-acetyl-5-bromo-N-(4-chlorophenyl)-23-dihydro-1H-indole-6-sulfonamide

SMILES

CC(N(CCc1c2)c1cc(S(Nc(cc1)ccc1Cl)(=O)=O)c2Br)=O

InChI

InChI=1S/C16H14BrClN2O3S/c1-10(21)20-7-6-11-8-14(17)16(9-15(11)20)24(22,23)19-13-4-2-12(18)3-5-13/h2-5,8-9,19H,6-7H2,1H3

InChI Key

CMGAYBKJDVKEIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.98

Polar Surface Area

57.306

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

C069-0812 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C069-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0812?
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What is the minimum amount of C069-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0812
  • 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 C069-0812 available by request