6415-1537 Screening compound: N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

6415-1537 Screening compound: N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
6415-1537 Screening compound: N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-1537
N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-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

6415-1537

Molecular Formula

C20H19N3O5S (C20 H19 N3 O5 S)

Compound Name

N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1C(N1CCCC1)=O

InChI

InChI=1S/C20H19N3O5S/c24-18(13-23-20(26)15-8-2-4-10-17(15)29(23,27)28)21-16-9-3-1-7-14(16)19(25)22-11-5-6-12-22/h1-4,7-10H,5-6,11-13H2,(H,21,24)

InChI Key

DQCRGJFTBFBFHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04028712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.194

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-2.43

Polar Surface Area

84.650

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6415-1537 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6415-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-1537?
Check Price and Availability of 6415-1537, 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 6415-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-1537
  • 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 6415-1537 available by request