D473-0978 Screening compound: ethyl 4-[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

D473-0978 Screening compound: ethyl 4-[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
D473-0978 Screening compound: ethyl 4-[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0978
ethyl 4-[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

D473-0978

Molecular Formula

C18H23N3O6S (C18 H23 N3 O6 S)

Compound Name

ethyl 4-[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[4-(4-methyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)ccc1N(C(C(C)C1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C18H23N3O6S/c1-3-27-18(24)20-10-8-19(9-11-20)17(23)14-4-6-15(7-5-14)21-16(22)13(2)12-28(21,25)26/h4-7,13H,3,8-12H2,1-2H3/t13-/m1/s1

InChI Key

YLSGAOAUNWRSKR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10089438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-2.14

Polar Surface Area

84.806

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D473-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0978?
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What is the minimum amount of D473-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0978
  • 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 D473-0978 available by request