C137-1513 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

C137-1513 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide
C137-1513 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1513
N-{2-[benzyl(methyl)amino]ethyl}-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

C137-1513

Molecular Formula

C21H26BrN3O3S (C21 H26 BrN3 O3 S)

Compound Name

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

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamide

SMILES

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

InChI

InChI=1S/C21H26BrN3O3S/c1-3-21(26)25-11-9-17-13-18(22)20(14-19(17)25)29(27,28)23-10-12-24(2)15-16-7-5-4-6-8-16/h4-8,13-14,23H,3,9-12,15H2,1-2H3

InChI Key

PWVHJCVRBGBYQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.84

Polar Surface Area

61.355

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C137-1513 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C137-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1513?
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What is the minimum amount of C137-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1513
  • 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 C137-1513 available by request