D316-0582 Screening compound: methyl 4-[(4-chlorobenzoyl)oxy]-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0582 Screening compound: methyl 4-[(4-chlorobenzoyl)oxy]-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0582 Screening compound: methyl 4-[(4-chlorobenzoyl)oxy]-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0582
methyl 4-[(4-chlorobenzoyl)oxy]-2-isopropyl-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

D316-0582

Molecular Formula

C20H18ClNO6S (C20 H18 ClNO6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C(C(OC)=O)=C(c1c2cccc1)OC(c(cc1)ccc1Cl)=O)S2(=O)=O

InChI

InChI=1S/C20H18ClNO6S/c1-12(2)22-17(20(24)27-3)18(15-6-4-5-7-16(15)29(22,25)26)28-19(23)13-8-10-14(21)11-9-13/h4-12H,1-3H3

InChI Key

DKTHADOLAOSDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.80

Polar Surface Area

73.929

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D316-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0582?
Check Price and Availability of D316-0582, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D316-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0582
  • 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 D316-0582 available by request