C137-1531 Screening compound: 5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide

C137-1531 Screening compound: 5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
C137-1531 Screening compound: 5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1531
5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-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

C137-1531

Molecular Formula

C19H22BrN3O5S2 (C19 H22 BrN3 O5 S2)

Compound Name

5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

5-bromo-1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-23-dihydro-1H-indole-6-sulfonamide

SMILES

CCC(N(CCc1c2)c1cc(S(NCCc(cc1)ccc1S(N)(=O)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H22BrN3O5S2/c1-2-19(24)23-10-8-14-11-16(20)18(12-17(14)23)30(27,28)22-9-7-13-3-5-15(6-4-13)29(21,25)26/h3-6,11-12,22H,2,7-10H2,1H3,(H2,21,25,26)

InChI Key

PSTFWQXIDWFMRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.080

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.96

Polar Surface Area

107.864

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

C137-1531 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C137-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1531?
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What is the minimum amount of C137-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1531
  • 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 C137-1531 available by request