C517-1123 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide

C517-1123 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
C517-1123 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-1123
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide

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

C517-1123

Molecular Formula

C24H27N5O4S2 (C24 H27 N5 O4 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-[N-(4-methylphenyl)135-trimethyl-1H-pyrazole-4-sulfonamido]acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(c1ccc(C)cc1)S(c1c(C)n(C)nc1C)(=O)=O)=O)s2

InChI

InChI=1S/C24H27N5O4S2/c1-6-33-19-11-12-20-21(13-19)34-24(25-20)26-22(30)14-29(18-9-7-15(2)8-10-18)35(31,32)23-16(3)27-28(5)17(23)4/h7-13H,6,14H2,1-5H3,(H,25,26,30)

InChI Key

JCFXVKIKFUUVDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.92

Polar Surface Area

86.666

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C517-1123 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C517-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-1123?
Check Price and Availability of C517-1123, 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 C517-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-1123
  • 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 C517-1123 available by request