C583-0288 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

C583-0288 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide
C583-0288 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0288
N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

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

C583-0288

Molecular Formula

C21H24ClN3O3S2 (C21 H24 ClN3 O3 S2)

Compound Name

N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)pentanamide

SMILES

CC(C)CC(C(NCc(cc1)ccc1Cl)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C21H24ClN3O3S2/c1-13(2)10-19(21(26)23-12-15-4-6-16(22)7-5-15)25-30(27,28)17-8-9-18-20(11-17)29-14(3)24-18/h4-9,11,13,19,25H,10,12H2,1-3H3,(H,23,26)/t19-/m0/s1

InChI Key

LCSBAHJOGAFEIY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.65

Polar Surface Area

76.052

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C583-0288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C583-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0288?
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What is the minimum amount of C583-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0288
  • 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 C583-0288 available by request