C069-1014 Screening compound: 1-acetyl-5-bromo-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

C069-1014 Screening compound: 1-acetyl-5-bromo-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
C069-1014 Screening compound: 1-acetyl-5-bromo-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-1014
1-acetyl-5-bromo-N-[(4-chlorophenyl)methyl]-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

C069-1014

Molecular Formula

C17H16BrClN2O3S (C17 H16 BrClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H16BrClN2O3S/c1-11(22)21-7-6-13-8-15(18)17(9-16(13)21)25(23,24)20-10-12-2-4-14(19)5-3-12/h2-5,8-9,20H,6-7,10H2,1H3

InChI Key

OKZUJXOLZKDPIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-4.00

Polar Surface Area

58.415

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

C069-1014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C069-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-1014?
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What is the minimum amount of C069-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-1014
  • 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 C069-1014 available by request