D473-0977 Screening compound: ethyl 4-{[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

D473-0977 Screening compound: ethyl 4-{[4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
D473-0977 Screening compound: ethyl 4-{[4-(4-methyl-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 D473-0977
ethyl 4-{[4-(4-methyl-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

D473-0977

Molecular Formula

C19H25N3O6S (C19 H25 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)ccc1N(C(C(C)C1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C19H25N3O6S/c1-3-28-19(25)21-10-8-15(9-11-21)20-17(23)14-4-6-16(7-5-14)22-18(24)13(2)12-29(22,26)27/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,23)/t13-/m1/s1

InChI Key

ZDXIYCAOPYYRFB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10089437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

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

0.838

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-2.41

Polar Surface Area

92.296

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

D473-0977 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D473-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0977?
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What is the minimum amount of D473-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0977
  • 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 D473-0977 available by request