D239-0130 Screening compound: methyl 2-[4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

D239-0130 Screening compound: methyl 2-[4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
D239-0130 Screening compound: methyl 2-[4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0130
methyl 2-[4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

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

D239-0130

Molecular Formula

C20H17NO7S (C20 H17 NO7 S)

Compound Name

methyl 2-[4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

IUPAC name

methyl 2-[4-(acetyloxy)-3-benzoyl-11-dioxo-2H-1lambda62-benzothiazin-2-yl]acetate

SMILES

CC(OC(c1c2cccc1)=C(C(c1ccccc1)=O)N(CC(OC)=O)S2(=O)=O)=O

InChI

InChI=1S/C20H17NO7S/c1-13(22)28-20-15-10-6-7-11-16(15)29(25,26)21(12-17(23)27-2)18(20)19(24)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3

InChI Key

ZUIGFVTWCRDJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08292648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-2.90

Polar Surface Area

87.058

Acid Dissociation Constant (pKa)

21.24

Base Dissociation Constant (pKb)

-11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D239-0130 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D239-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0130?
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What is the minimum amount of D239-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0130
  • 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 D239-0130 available by request