D445-0302 Screening compound: 2-[3,5-dimethyl-4-(morpholinosulfonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D445-0302 Screening compound: 2-[3,5-dimethyl-4-(morpholinosulfonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D445-0302 Screening compound: 2-[3,5-dimethyl-4-(morpholinosulfonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0302
2-[3,5-dimethyl-4-(morpholinosulfonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

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

D445-0302

Molecular Formula

C15H20N2O6S2 (C15 H20 N2 O6 S2)

Compound Name

2-[3,5-dimethyl-4-(morpholinosulfonyl)phenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-[35-dimethyl-4-(morpholine-4-sulfonyl)phenyl]-1lambda62-thiazolidine-113-trione

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C15H20N2O6S2/c1-11-9-13(17-14(18)3-8-24(17,19)20)10-12(2)15(11)25(21,22)16-4-6-23-7-5-16/h9-10H,3-8H2,1-2H3

InChI Key

PEZUOAPAUSNUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.514

Distribution Coefficient, logD

0.514

Water Solubility, LogSw

-1.55

Polar Surface Area

85.275

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

D445-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D445-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0302?
Check Price and Availability of D445-0302, 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 D445-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0302
  • 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 D445-0302 available by request