C137-1502 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

C137-1502 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide
C137-1502 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1502
N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-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

C137-1502

Molecular Formula

C22H28BrN3O3S (C22 H28 BrN3 O3 S)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamide

SMILES

CCC(N(CCc1c2)c1cc(S(NCCCN(C)Cc1ccccc1)(=O)=O)c2Br)=O

InChI

InChI=1S/C22H28BrN3O3S/c1-3-22(27)26-13-10-18-14-19(23)21(15-20(18)26)30(28,29)24-11-7-12-25(2)16-17-8-5-4-6-9-17/h4-6,8-9,14-15,24H,3,7,10-13,16H2,1-2H3

InChI Key

MAIHZSJXTYUINP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-3.85

Polar Surface Area

61.355

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C137-1502 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

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 C137-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1502?
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What is the minimum amount of C137-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1502
  • 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 C137-1502 available by request