D316-0403 Screening compound: 2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

D316-0403 Screening compound: 2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate
D316-0403 Screening compound: 2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0403
2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

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

D316-0403

Molecular Formula

C16H13NO5S (C16 H13 NO5 S)

Compound Name

2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

IUPAC name

11-dioxo-2-(prop-2-en-1-yl)-2H-1lambda62-benzothiazin-4-yl furan-2-carboxylate

SMILES

C=CCN(C=C(c1c2cccc1)OC(c1ccco1)=O)S2(=O)=O

InChI

InChI=1S/C16H13NO5S/c1-2-9-17-11-14(22-16(18)13-7-5-10-21-13)12-6-3-4-8-15(12)23(17,19)20/h2-8,10-11H,1,9H2

InChI Key

MOZNVTKNBNYANU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.83

Polar Surface Area

60.060

Acid Dissociation Constant (pKa)

31.60

Base Dissociation Constant (pKb)

-11.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with D316-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0403?
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What is the minimum amount of D316-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0403
  • 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 D316-0403 available by request