V021-2593 Screening compound: N-(3-morpholinopropyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide

V021-2593 Screening compound: N-(3-morpholinopropyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide
V021-2593 Screening compound: N-(3-morpholinopropyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2593
N-(3-morpholinopropyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-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

V021-2593

Molecular Formula

C21H28F3N3O2S (C21 H28 F3 N3 O2 S)

Compound Name

N-(3-morpholinopropyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-8-(trifluoromethyl)-1H2H4H4aH5H6H-[14]thiazino[43-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CSCC2)N2c2c1cc(C(F)(F)F)cc2)NCCCN1CCOCC1

InChI

InChI=1S/C21H28F3N3O2S/c22-21(23,24)16-2-3-18-15(12-16)13-17(19-14-30-11-8-27(18)19)20(28)25-4-1-5-26-6-9-29-10-7-26/h2-3,12,17,19H,1,4-11,13-14H2,(H,25,28)

InChI Key

MSFHIFDTGPGSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853271

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.93

Polar Surface Area

38.756

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

V021-2593 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V021-2593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2593?
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What is the minimum amount of V021-2593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2593
  • 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 V021-2593 available by request