D473-1737 Screening compound: ethyl 4-{[3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

D473-1737 Screening compound: ethyl 4-{[3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
D473-1737 Screening compound: ethyl 4-{[3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1737
ethyl 4-{[3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]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

D473-1737

Molecular Formula

C20H27N3O6S (C20 H27 N3 O6 S)

Compound Name

ethyl 4-{[3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-[3-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cccc(N(C(C(C)(C)C2)=O)S2(=O)=O)c1)=O)=O

InChI

InChI=1S/C20H27N3O6S/c1-4-29-19(26)22-10-8-15(9-11-22)21-17(24)14-6-5-7-16(12-14)23-18(25)20(2,3)13-30(23,27)28/h5-7,12,15H,4,8-11,13H2,1-3H3,(H,21,24)

InChI Key

VRDRIMCYBCYYKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.64

Polar Surface Area

92.296

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D473-1737 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 D473-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1737?
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What is the minimum amount of D473-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1737
  • 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 D473-1737 available by request