G658-0710 Screening compound: 2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

G658-0710 Screening compound: 2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
G658-0710 Screening compound: 2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0710
2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

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

G658-0710

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(2-ethyl-34-dihydro-2H-14-benzothiazin-4-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

CCC1Sc(cccc2)c2N(CC(N(CC2)CCN2c2ncccc2)=O)C1

InChI

InChI=1S/C21H26N4OS/c1-2-17-15-25(18-7-3-4-8-19(18)27-17)16-21(26)24-13-11-23(12-14-24)20-9-5-6-10-22-20/h3-10,17H,2,11-16H2,1H3/t17-/m0/s1

InChI Key

QONXMVLFEKGOCN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15026424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.75

Polar Surface Area

30.899

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G658-0710 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with G658-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0710?
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What is the minimum amount of G658-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0710
  • 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 G658-0710 available by request