3988-0592 Screening compound: N-(4-bromo-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

3988-0592 Screening compound: N-(4-bromo-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide
3988-0592 Screening compound: N-(4-bromo-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0592
N-(4-bromo-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-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

3988-0592

Molecular Formula

C23H23BrN4O2S (C23 H23 BrN4 O2 S)

Compound Name

N-(4-bromo-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(4-bromo-2-{[(1-ethyl-1H-13-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

SMILES

CCn1c(NCc(cc(cc2)Br)c2NS(c2ccc(C)cc2)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C23H23BrN4O2S/c1-3-28-22-7-5-4-6-21(22)26-23(28)25-15-17-14-18(24)10-13-20(17)27-31(29,30)19-11-8-16(2)9-12-19/h4-14,27H,3,15H2,1-2H3,(H,25,26)

InChI Key

NJESQUAZKGQFAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.55

Polar Surface Area

62.257

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

3988-0592 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3988-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0592?
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What is the minimum amount of 3988-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0592
  • 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 3988-0592 available by request