C858-1547 Screening compound: ethyl 4-[2-(morpholin-4-yl)-1,3-benzothiazole-6-amido]benzoate

C858-1547 Screening compound: ethyl 4-[2-(morpholin-4-yl)-1,3-benzothiazole-6-amido]benzoate
C858-1547 Screening compound: ethyl 4-[2-(morpholin-4-yl)-1,3-benzothiazole-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1547
ethyl 4-[2-(morpholin-4-yl)-1,3-benzothiazole-6-amido]benzoate

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

C858-1547

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

ethyl 4-[2-(morpholin-4-yl)-1,3-benzothiazole-6-amido]benzoate

IUPAC name

ethyl 4-[2-(morpholin-4-yl)-13-benzothiazole-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc2c1nc(N1CCOCC1)s2)=O)=O

InChI

InChI=1S/C21H21N3O4S/c1-2-28-20(26)14-3-6-16(7-4-14)22-19(25)15-5-8-17-18(13-15)29-21(23-17)24-9-11-27-12-10-24/h3-8,13H,2,9-12H2,1H3,(H,22,25)

InChI Key

JLYRQVVWKKKAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.12

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

C858-1547 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C858-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1547?
Check Price and Availability of C858-1547, 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 C858-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1547
  • 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 C858-1547 available by request