C137-0152 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

C137-0152 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one
C137-0152 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0152
3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)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

C137-0152

Molecular Formula

C23H24BrFN2O4S (C23 H24 BrFN2 O4 S)

Compound Name

3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

IUPAC name

3-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]-1-(6-fluoro-2-methyl-1234-tetrahydroquinolin-1-yl)propan-1-one

SMILES

CC(CC1)N(C(CCS(c(cc(c(CC2)c3)N2C(C)=O)c3Br)(=O)=O)=O)c(cc2)c1cc2F

InChI

InChI=1S/C23H24BrFN2O4S/c1-14-3-4-16-11-18(25)5-6-20(16)27(14)23(29)8-10-32(30,31)22-13-21-17(12-19(22)24)7-9-26(21)15(2)28/h5-6,11-14H,3-4,7-10H2,1-2H3/t14-/m0/s1

InChI Key

DVQRFCFRFLZZNY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14721377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.88

Polar Surface Area

59.417

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

C137-0152 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C137-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0152?
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What is the minimum amount of C137-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0152
  • 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 C137-0152 available by request