D445-0348 Screening compound: ethyl 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)acetate

D445-0348 Screening compound: ethyl 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)acetate
D445-0348 Screening compound: ethyl 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0348
ethyl 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)acetate

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

D445-0348

Molecular Formula

C15H20N2O7S2 (C15 H20 N2 O7 S2)

Compound Name

ethyl 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)acetate

IUPAC name

ethyl 2-[26-dimethyl-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]acetate

SMILES

CCOC(CNS(c(c(C)c1)c(C)cc1N(C(CC1)=O)S1(=O)=O)(=O)=O)=O

InChI

InChI=1S/C15H20N2O7S2/c1-4-24-14(19)9-16-26(22,23)15-10(2)7-12(8-11(15)3)17-13(18)5-6-25(17,20)21/h7-8,16H,4-6,9H2,1-3H3

InChI Key

ZSRHAWYYBURCAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.677

Distribution Coefficient, logD

0.676

Water Solubility, LogSw

-2.16

Polar Surface Area

107.844

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

D445-0348 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D445-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0348?
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What is the minimum amount of D445-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0348
  • 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 D445-0348 available by request