D473-1681 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-isobutylbenzamide

D473-1681 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-isobutylbenzamide
D473-1681 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1681
3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-isobutylbenzamide

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

D473-1681

Molecular Formula

C16H22N2O4S (C16 H22 N2 O4 S)

Compound Name

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

IUPAC name

3-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1cccc(N(C(C(C)(C)C2)=O)S2(=O)=O)c1)=O

InChI

InChI=1S/C16H22N2O4S/c1-11(2)9-17-14(19)12-6-5-7-13(8-12)18-15(20)16(3,4)10-23(18,21)22/h5-8,11H,9-10H2,1-4H3,(H,17,19)

InChI Key

PYMTYTRPLUZWJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

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

1.958

Distribution Coefficient, logD

1.958

Water Solubility, LogSw

-2.59

Polar Surface Area

70.063

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D473-1681 in Drug Discovery

Included in Screening Libraries

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 D473-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1681?
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What is the minimum amount of D473-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1681
  • 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 D473-1681 available by request