D316-0538 Screening compound: methyl 2-ethyl-4-{[4-(morpholinomethyl)benzoyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0538 Screening compound: methyl 2-ethyl-4-{[4-(morpholinomethyl)benzoyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0538 Screening compound: methyl 2-ethyl-4-{[4-(morpholinomethyl)benzoyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0538
methyl 2-ethyl-4-{[4-(morpholinomethyl)benzoyl]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

D316-0538

Molecular Formula

C24H26N2O7S (C24 H26 N2 O7 S)

Compound Name

methyl 2-ethyl-4-{[4-(morpholinomethyl)benzoyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 2-ethyl-4-{4-[(morpholin-4-yl)methyl]benzoyloxy}-11-dioxo-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CCN(C(C(OC)=O)=C(c1c2cccc1)OC(c1ccc(CN3CCOCC3)cc1)=O)S2(=O)=O

InChI

InChI=1S/C24H26N2O7S/c1-3-26-21(24(28)31-2)22(19-6-4-5-7-20(19)34(26,29)30)33-23(27)18-10-8-17(9-11-18)16-25-12-14-32-15-13-25/h4-11H,3,12-16H2,1-2H3

InChI Key

XLWXFDNAGDZUJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.85

Polar Surface Area

85.179

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D316-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0538?
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What is the minimum amount of D316-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0538
  • 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 D316-0538 available by request