D034-0127 Screening compound: N~1~-allyl-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0127 Screening compound: N~1~-allyl-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0127 Screening compound: N~1~-allyl-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0127
N~1~-allyl-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)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

D034-0127

Molecular Formula

C12H12N2O4S (C12 H12 N2 O4 S)

Compound Name

N~1~-allyl-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(prop-2-en-1-yl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

C=CCNC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C12H12N2O4S/c1-2-7-13-11(15)8-14-12(16)9-5-3-4-6-10(9)19(14,17)18/h2-6H,1,7-8H2,(H,13,15)

InChI Key

JMJDQGJTUTWBCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.203

Distribution Coefficient, logD

-0.203

Water Solubility, LogSw

-2.40

Polar Surface Area

69.768

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D034-0127 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D034-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0127?
Check Price and Availability of D034-0127, 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 D034-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0127
  • 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 D034-0127 available by request