D316-0514 Screening compound: methyl 4-[(2-bromobenzoyl)oxy]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0514 Screening compound: methyl 4-[(2-bromobenzoyl)oxy]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0514 Screening compound: methyl 4-[(2-bromobenzoyl)oxy]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0514
methyl 4-[(2-bromobenzoyl)oxy]-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

D316-0514

Molecular Formula

C18H14BrNO6S (C18 H14 BrNO6 S)

Compound Name

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

IUPAC name

methyl 4-(2-bromobenzoyloxy)-2-methyl-11-dioxo-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CN(C(C(OC)=O)=C(c1c2cccc1)OC(c(cccc1)c1Br)=O)S2(=O)=O

InChI

InChI=1S/C18H14BrNO6S/c1-20-15(18(22)25-2)16(12-8-4-6-10-14(12)27(20,23)24)26-17(21)11-7-3-5-9-13(11)19/h3-10H,1-2H3

InChI Key

YMSYZCFLCCUGMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.28

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

3.745

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-4.12

Polar Surface Area

74.818

Acid Dissociation Constant (pKa)

30.50

Base Dissociation Constant (pKb)

-10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D316-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0514?
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What is the minimum amount of D316-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0514
  • 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 D316-0514 available by request