C137-0134 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide

C137-0134 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide
C137-0134 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0134
3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide

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

C137-0134

Molecular Formula

C25H30BrN3O4S (C25 H30 BrN3 O4 S)

Compound Name

3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide

IUPAC name

3-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide

SMILES

CC(N(CCc1c2)c1cc(S(CCC(NC1CCN(Cc3ccccc3)CC1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C25H30BrN3O4S/c1-18(30)29-13-7-20-15-22(26)24(16-23(20)29)34(32,33)14-10-25(31)27-21-8-11-28(12-9-21)17-19-5-3-2-4-6-19/h2-6,15-16,21H,7-14,17H2,1H3,(H,27,31)

InChI Key

NWDDWBPZJUGGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

0.986

Water Solubility, LogSw

-2.87

Polar Surface Area

73.159

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C137-0134 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 C137-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0134?
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What is the minimum amount of C137-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0134
  • 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 C137-0134 available by request