C583-0067 Screening compound: N-(4-ethylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

C583-0067 Screening compound: N-(4-ethylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide
C583-0067 Screening compound: N-(4-ethylphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0067
N-(4-ethylphenyl)-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

C583-0067

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(C(CC(C)C)NS(c(cc1)cc2c1nc(C)s2)(=O)=O)=O

InChI

InChI=1S/C22H27N3O3S2/c1-5-16-6-8-17(9-7-16)24-22(26)20(12-14(2)3)25-30(27,28)18-10-11-19-21(13-18)29-15(4)23-19/h6-11,13-14,20,25H,5,12H2,1-4H3,(H,24,26)/t20-/m0/s1

InChI Key

HTGBJIGCGOCBFL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14772908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

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

5.494

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.31

Polar Surface Area

74.730

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C583-0067 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C583-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0067?
Check Price and Availability of C583-0067, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C583-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0067
  • 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 C583-0067 available by request