C858-1629 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

C858-1629 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
C858-1629 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1629
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

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

C858-1629

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(morpholin-4-yl)-13-benzothiazole-6-carboxamide

SMILES

CCOc(ccc(CCNC(c(cc1)cc2c1nc(N1CCOCC1)s2)=O)c1)c1OCC

InChI

InChI=1S/C24H29N3O4S/c1-3-30-20-8-5-17(15-21(20)31-4-2)9-10-25-23(28)18-6-7-19-22(16-18)32-24(26-19)27-11-13-29-14-12-27/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,28)

InChI Key

PPOUTRSCSVHRSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.44

Polar Surface Area

59.810

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C858-1629 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C858-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1629?
Check Price and Availability of C858-1629, 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 C858-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1629
  • 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 C858-1629 available by request