D006-0340 Screening compound: 8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

D006-0340 Screening compound: 8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
D006-0340 Screening compound: 8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D006-0340
8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

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

D006-0340

Molecular Formula

C20H23FN4O2S (C20 H23 FN4 O2 S)

Compound Name

8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

IUPAC name

8-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

N#CC(C(C1)c(cc2)ccc2F)=C2SCN(CCN3CCOCC3)CN2C1=O

InChI

InChI=1S/C20H23FN4O2S/c21-16-3-1-15(2-4-16)17-11-19(26)25-13-24(14-28-20(25)18(17)12-22)6-5-23-7-9-27-10-8-23/h1-4,17H,5-11,13-14H2/t17-/m1/s1

InChI Key

FLSRVXVNHBNFNP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10086938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-2.30

Polar Surface Area

49.924

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D006-0340 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D006-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D006-0340?
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What is the minimum amount of D006-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D006-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D006-0340
  • 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 D006-0340 available by request