G786-0417 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole

G786-0417 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole
G786-0417 Screening compound: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0417
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-4,6-difluoro-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

G786-0417

Molecular Formula

C20H17F2N3O3S (C20 H17 F2 N3 O3 S)

Compound Name

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

IUPAC name

2-[4-(23-dihydro-14-benzodioxine-6-carbonyl)piperazin-1-yl]-46-difluoro-13-benzothiazole

SMILES

O=C(c(cc1)cc2c1OCCO2)N(CC1)CCN1c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C20H17F2N3O3S/c21-13-10-14(22)18-17(11-13)29-20(23-18)25-5-3-24(4-6-25)19(26)12-1-2-15-16(9-12)28-8-7-27-15/h1-2,9-11H,3-8H2

InChI Key

VDSXBJCMUSPBLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07194060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.16

Polar Surface Area

46.276

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G786-0417 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0417?
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What is the minimum amount of G786-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0417
  • 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 G786-0417 available by request