C583-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

C583-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide
C583-0022 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0022
N-(6-ethoxy-1,3-benzothiazol-2-yl)-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

C583-0022

Molecular Formula

C23H26N4O4S3 (C23 H26 N4 O4 S3)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-4-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)pentanamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CC(C)C)NS(c(cc1)cc3c1nc(C)s3)(=O)=O)=O)s2

InChI

InChI=1S/C23H26N4O4S3/c1-5-31-15-6-8-18-20(11-15)33-23(25-18)26-22(28)19(10-13(2)3)27-34(29,30)16-7-9-17-21(12-16)32-14(4)24-17/h6-9,11-13,19,27H,5,10H2,1-4H3,(H,25,26,28)/t19-/m0/s1

InChI Key

ZWHBQDDYONQDPC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.955

Distribution Coefficient, logD

5.955

Water Solubility, LogSw

-5.45

Polar Surface Area

91.615

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C583-0022 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C583-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0022?
Check Price and Availability of C583-0022, 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 C583-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0022
  • 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 C583-0022 available by request