C583-0123 Screening compound: N-(2-chloro-4-methylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

C583-0123 Screening compound: N-(2-chloro-4-methylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide
C583-0123 Screening compound: N-(2-chloro-4-methylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0123
N-(2-chloro-4-methylphenyl)-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

C583-0123

Molecular Formula

C21H24ClN3O3S2 (C21 H24 ClN3 O3 S2)

Compound Name

N-(2-chloro-4-methylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

IUPAC name

N-(2-chloro-4-methylphenyl)-4-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)pentanamide

SMILES

CC(C)CC(C(Nc(ccc(C)c1)c1Cl)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C21H24ClN3O3S2/c1-12(2)9-19(21(26)24-17-7-5-13(3)10-16(17)22)25-30(27,28)15-6-8-18-20(11-15)29-14(4)23-18/h5-8,10-12,19,25H,9H2,1-4H3,(H,24,26)/t19-/m0/s1

InChI Key

MDANOOMQMPFOCE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772927

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.85

Polar Surface Area

74.032

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C583-0123 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C583-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0123?
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What is the minimum amount of C583-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0123
  • 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 C583-0123 available by request