C137-1457 Screening compound: 5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

C137-1457 Screening compound: 5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
C137-1457 Screening compound: 5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1457
5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-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

C137-1457

Molecular Formula

C16H17BrN2O3S2 (C16 H17 BrN2 O3 S2)

Compound Name

5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

5-bromo-1-propanoyl-N-[(thiophen-2-yl)methyl]-23-dihydro-1H-indole-6-sulfonamide

SMILES

CCC(N(CCc1c2)c1cc(S(NCc1cccs1)(=O)=O)c2Br)=O

InChI

InChI=1S/C16H17BrN2O3S2/c1-2-16(20)19-6-5-11-8-13(17)15(9-14(11)19)24(21,22)18-10-12-4-3-7-23-12/h3-4,7-9,18H,2,5-6,10H2,1H3

InChI Key

XUDSSVJDOOKOQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.75

Polar Surface Area

58.438

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

C137-1457 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C137-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1457?
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What is the minimum amount of C137-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1457
  • 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 C137-1457 available by request