D316-0580 Screening compound: methyl 2-isopropyl-4-[(2-methoxybenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0580 Screening compound: methyl 2-isopropyl-4-[(2-methoxybenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0580 Screening compound: methyl 2-isopropyl-4-[(2-methoxybenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0580
methyl 2-isopropyl-4-[(2-methoxybenzoyl)oxy]-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

D316-0580

Molecular Formula

C21H21NO7S (C21 H21 NO7 S)

Compound Name

methyl 2-isopropyl-4-[(2-methoxybenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 4-(2-methoxybenzoyloxy)-11-dioxo-2-(propan-2-yl)-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CC(C)N(C(C(OC)=O)=C(c1c2cccc1)OC(c(cccc1)c1OC)=O)S2(=O)=O

InChI

InChI=1S/C21H21NO7S/c1-13(2)22-18(21(24)28-4)19(15-10-6-8-12-17(15)30(22,25)26)29-20(23)14-9-5-7-11-16(14)27-3/h5-13H,1-4H3

InChI Key

CPUZRBOJXOMWJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-4.11

Polar Surface Area

81.559

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D316-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0580?
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What is the minimum amount of D316-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0580
  • 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 D316-0580 available by request