C069-0901 Screening compound: ethyl 1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

C069-0901 Screening compound: ethyl 1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate
C069-0901 Screening compound: ethyl 1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0901
ethyl 1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

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

C069-0901

Molecular Formula

C18H23BrN2O5S (C18 H23 BrN2 O5 S)

Compound Name

ethyl 1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(c(cc(c(CC1)c2)N1C(C)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C18H23BrN2O5S/c1-3-26-18(23)14-5-4-7-20(11-14)27(24,25)17-10-16-13(9-15(17)19)6-8-21(16)12(2)22/h9-10,14H,3-8,11H2,1-2H3/t14-/m0/s1

InChI Key

MFPGSYYYXXCIQG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14716488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.33

Polar Surface Area

69.055

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

C069-0901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C069-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0901?
Check Price and Availability of C069-0901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C069-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0901
  • 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 C069-0901 available by request