D097-0001 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

D097-0001 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
D097-0001 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0001
N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

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

D097-0001

Molecular Formula

C22H19N3O6S (C22 H19 N3 O6 S)

Compound Name

N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

IUPAC name

N-(3-benzoyl-2-methyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl)-2-(25-dioxopyrrolidin-1-yl)acetamide

SMILES

CN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(CN(C(CC1)=O)C1=O)=O)S2(=O)=O

InChI

InChI=1S/C22H19N3O6S/c1-24-21(22(29)14-7-3-2-4-8-14)20(15-9-5-6-10-16(15)32(24,30)31)23-17(26)13-25-18(27)11-12-19(25)28/h2-10H,11-13H2,1H3,(H,23,26)

InChI Key

QBTLUOIZPWTKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06239946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.517

Distribution Coefficient, logD

-1.795

Water Solubility, LogSw

-2.66

Polar Surface Area

99.844

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D097-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0001?
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What is the minimum amount of D097-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0001
  • 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 D097-0001 available by request