G786-0376 Screening compound: N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0376 Screening compound: N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0376 Screening compound: N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0376
N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-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

G786-0376

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-2-ylidene]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

CCOc1cccc(S2)c1N(CC=C)/C2=N/C(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C21H20N2O4S/c1-3-10-23-19-16(25-4-2)6-5-7-18(19)28-21(23)22-20(24)14-8-9-15-17(13-14)27-12-11-26-15/h3,5-9,13H,1,4,10-12H2,2H3

InChI Key

IBCPHMQMSPFJGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05915870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.31

Polar Surface Area

49.699

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G786-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0376?
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What is the minimum amount of G786-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0376
  • 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 G786-0376 available by request