D097-0023 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate

D097-0023 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
D097-0023 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0023
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate

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

D097-0023

Molecular Formula

C24H18N2O7S (C24 H18 N2 O7 S)

Compound Name

3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate

IUPAC name

3-benzoyl-2-ethyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 4-nitrobenzoate

SMILES

CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(c(cc1)ccc1[N+]([O-])=O)=O)S2(=O)=O

InChI

InChI=1S/C24H18N2O7S/c1-2-25-21(22(27)16-8-4-3-5-9-16)23(19-10-6-7-11-20(19)34(25,31)32)33-24(28)17-12-14-18(15-13-17)26(29)30/h3-15H,2H2,1H3

InChI Key

JCZJVYBKVAPPKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.45

Polar Surface Area

99.212

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-11.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with D097-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0023?
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What is the minimum amount of D097-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0023
  • 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 D097-0023 available by request