G786-0414 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole

G786-0414 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
G786-0414 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0414
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole

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

G786-0414

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole

IUPAC name

2-[4-(23-dihydro-14-benzodioxine-6-carbonyl)piperazin-1-yl]-4-methoxy-13-benzothiazole

SMILES

COc1cccc2c1nc(N(CC1)CCN1C(c(cc1)cc3c1OCCO3)=O)s2

InChI

InChI=1S/C21H21N3O4S/c1-26-16-3-2-4-18-19(16)22-21(29-18)24-9-7-23(8-10-24)20(25)14-5-6-15-17(13-14)28-12-11-27-15/h2-6,13H,7-12H2,1H3

InChI Key

FZSJGEJVNUJKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07194019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.494

Water Solubility, LogSw

-2.81

Polar Surface Area

53.906

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G786-0414 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G786-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0414?
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What is the minimum amount of G786-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0414
  • 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 G786-0414 available by request