C300-0080 Screening compound: 1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propan-1-one

C300-0080 Screening compound: 1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propan-1-one
C300-0080 Screening compound: 1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0080
1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propan-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

C300-0080

Molecular Formula

C21H27BrN2O4S (C21 H27 BrN2 O4 S)

Compound Name

1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propan-1-one

IUPAC name

1-(azepan-1-yl)-3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]propan-1-one

SMILES

O=C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C21H27BrN2O4S/c22-17-13-16-7-11-24(21(26)15-5-6-15)18(16)14-19(17)29(27,28)12-8-20(25)23-9-3-1-2-4-10-23/h13-15H,1-12H2

InChI Key

VJWHNPKDONIZSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.57

Polar Surface Area

61.929

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C300-0080 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 C300-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0080?
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What is the minimum amount of C300-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0080
  • 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 C300-0080 available by request