D445-0289 Screening compound: N~1~-cyclopropyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0289 Screening compound: N~1~-cyclopropyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0289 Screening compound: N~1~-cyclopropyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0289
N~1~-cyclopropyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

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

D445-0289

Molecular Formula

C14H18N2O5S2 (C14 H18 N2 O5 S2)

Compound Name

N~1~-cyclopropyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-cyclopropyl-26-dimethyl-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(NC1CC1)(=O)=O

InChI

InChI=1S/C14H18N2O5S2/c1-9-7-12(16-13(17)5-6-22(16,18)19)8-10(2)14(9)23(20,21)15-11-3-4-11/h7-8,11,15H,3-6H2,1-2H3

InChI Key

JTVIMJFSKFXNFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

0.999

Water Solubility, LogSw

-2.18

Polar Surface Area

87.683

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D445-0289 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D445-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0289?
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What is the minimum amount of D445-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0289
  • 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 D445-0289 available by request