D445-0008 Screening compound: N~1~-isobutyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0008 Screening compound: N~1~-isobutyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0008 Screening compound: N~1~-isobutyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0008
N~1~-isobutyl-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

D445-0008

Molecular Formula

C13H18N2O5S2 (C13 H18 N2 O5 S2)

Compound Name

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

IUPAC name

N-(2-methylpropyl)-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

CC(C)CNS(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)(=O)=O

InChI

InChI=1S/C13H18N2O5S2/c1-10(2)9-14-22(19,20)12-5-3-11(4-6-12)15-13(16)7-8-21(15,17)18/h3-6,10,14H,7-9H2,1-2H3

InChI Key

DXDBNTGTYSAMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.861

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-2.49

Polar Surface Area

87.685

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D445-0008 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 D445-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0008?
Check Price and Availability of D445-0008, 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 D445-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0008
  • 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 D445-0008 available by request