C137-2504 Screening compound: 1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

C137-2504 Screening compound: 1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
C137-2504 Screening compound: 1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2504
1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)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

C137-2504

Molecular Formula

C19H21BrN2O3S (C19 H21 BrN2 O3 S)

Compound Name

1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

1-acetyl-5-bromo-2-methyl-N-[(4-methylphenyl)methyl]-23-dihydro-1H-indole-6-sulfonamide

SMILES

CC(Cc1c2)N(C(C)=O)c1cc(S(NCc1ccc(C)cc1)(=O)=O)c2Br

InChI

InChI=1S/C19H21BrN2O3S/c1-12-4-6-15(7-5-12)11-21-26(24,25)19-10-18-16(9-17(19)20)8-13(2)22(18)14(3)23/h4-7,9-10,13,21H,8,11H2,1-3H3/t13-/m1/s1

InChI Key

QIGCTMDKYRQLNE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14721850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.95

Polar Surface Area

57.354

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

C137-2504 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C137-2504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2504?
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What is the minimum amount of C137-2504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2504
  • 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 C137-2504 available by request