D470-0219 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

D470-0219 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate
D470-0219 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0219
ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

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

D470-0219

Molecular Formula

C18H25N3O8S2 (C18 H25 N3 O8 S2)

Compound Name

ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-[2-methoxy-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NS(c(cc(cc1)N(C(CC2)=O)S2(=O)=O)c1OC)(=O)=O)=O

InChI

InChI=1S/C18H25N3O8S2/c1-3-29-18(23)20-9-6-13(7-10-20)19-31(26,27)16-12-14(4-5-15(16)28-2)21-17(22)8-11-30(21,24)25/h4-5,12-13,19H,3,6-11H2,1-2H3

InChI Key

LETCDDKCQGNNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.343

Distribution Coefficient, logD

0.343

Water Solubility, LogSw

-2.51

Polar Surface Area

117.763

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with D470-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0219?
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What is the minimum amount of D470-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0219
  • 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 D470-0219 available by request