C858-1593 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

C858-1593 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
C858-1593 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1593
N-[2-(cyclohex-1-en-1-yl)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

C858-1593

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(morpholin-4-yl)-13-benzothiazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nc(N1CCOCC1)s2)NCCC1=CCCCC1

InChI

InChI=1S/C20H25N3O2S/c24-19(21-9-8-15-4-2-1-3-5-15)16-6-7-17-18(14-16)26-20(22-17)23-10-12-25-13-11-23/h4,6-7,14H,1-3,5,8-13H2,(H,21,24)

InChI Key

QEQQFDWQDKYHOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.82

Polar Surface Area

45.582

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C858-1593 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C858-1593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1593?
Check Price and Availability of C858-1593, 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 C858-1593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1593
  • 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 C858-1593 available by request