D316-0506 Screening compound: methyl 4-(isobutyryloxy)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0506 Screening compound: methyl 4-(isobutyryloxy)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0506 Screening compound: methyl 4-(isobutyryloxy)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0506
methyl 4-(isobutyryloxy)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

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

D316-0506

Molecular Formula

C15H17NO6S (C15 H17 NO6 S)

Compound Name

methyl 4-(isobutyryloxy)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 2-methyl-4-[(2-methylpropanoyl)oxy]-11-dioxo-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CC(C)C(OC(c1c2cccc1)=C(C(OC)=O)N(C)S2(=O)=O)=O

InChI

InChI=1S/C15H17NO6S/c1-9(2)14(17)22-13-10-7-5-6-8-11(10)23(19,20)16(3)12(13)15(18)21-4/h5-9H,1-4H3

InChI Key

ZGQIPNJJJCVJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.56

Polar Surface Area

75.090

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D316-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0506?
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What is the minimum amount of D316-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0506
  • 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 D316-0506 available by request