G786-0368 Screening compound: methyl 2-[(2Z)-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-acetamido-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

G786-0368 Screening compound: methyl 2-[(2Z)-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-acetamido-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
G786-0368 Screening compound: methyl 2-[(2Z)-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-acetamido-2,3-dihydro-1,3-benzothiazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0368
methyl 2-[(2Z)-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-acetamido-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

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

G786-0368

Molecular Formula

C21H19N3O6S (C21 H19 N3 O6 S)

Compound Name

methyl 2-[(2Z)-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-acetamido-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

IUPAC name

methyl 2-[(2Z)-2-[(23-dihydro-14-benzodioxine-6-carbonyl)imino]-6-acetamido-23-dihydro-13-benzothiazol-3-yl]acetate

SMILES

CC(Nc(cc1)cc(S2)c1N(CC(OC)=O)/C2=N/C(c(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C21H19N3O6S/c1-12(25)22-14-4-5-15-18(10-14)31-21(24(15)11-19(26)28-2)23-20(27)13-3-6-16-17(9-13)30-8-7-29-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)

InChI Key

WSLVIOPDQMUQHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04436199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-2.38

Polar Surface Area

85.194

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G786-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0368?
Check Price and Availability of G786-0368, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G786-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0368
  • 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 G786-0368 available by request