C699-1827 Screening compound: 4-ethyl-N-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-1827 Screening compound: 4-ethyl-N-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-1827 Screening compound: 4-ethyl-N-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-1827
4-ethyl-N-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-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

C699-1827

Molecular Formula

C17H25N3O2S (C17 H25 N3 O2 S)

Compound Name

4-ethyl-N-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-ethyl-N-[2-(morpholin-4-yl)ethyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCN1c(cc(cc2)C(NCCN3CCOCC3)=O)c2SCC1

InChI

InChI=1S/C17H25N3O2S/c1-2-20-9-12-23-16-4-3-14(13-15(16)20)17(21)18-5-6-19-7-10-22-11-8-19/h3-4,13H,2,5-12H2,1H3,(H,18,21)

InChI Key

PRLLJLUPSDAHII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-2.42

Polar Surface Area

38.943

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

C699-1827 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C699-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-1827?
Check Price and Availability of C699-1827, 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 C699-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-1827
  • 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 C699-1827 available by request