D473-1134 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethylbenzamide

D473-1134 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethylbenzamide
D473-1134 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1134
4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethylbenzamide

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

D473-1134

Molecular Formula

C18H24N2O6S2 (C18 H24 N2 O6 S2)

Compound Name

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

IUPAC name

4-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-ethylbenzamide

SMILES

CCN(C(CC1)CS1(=O)=O)C(c(cc1)ccc1N(C(C(C)(C)C1)=O)S1(=O)=O)=O

InChI

InChI=1S/C18H24N2O6S2/c1-4-19(15-9-10-27(23,24)11-15)16(21)13-5-7-14(8-6-13)20-17(22)18(2,3)12-28(20,25)26/h5-8,15H,4,9-12H2,1-3H3/t15-/m0/s1

InChI Key

ZZDVTAKKISVMNO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10089580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.507

Distribution Coefficient, logD

0.507

Water Solubility, LogSw

-2.02

Polar Surface Area

88.995

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

D473-1134 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D473-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1134?
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What is the minimum amount of D473-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1134
  • 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 D473-1134 available by request