C771-0006 Screening compound: ethyl 4-{[(5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophen-2-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C771-0006 Screening compound: ethyl 4-{[(5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophen-2-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C771-0006 Screening compound: ethyl 4-{[(5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophen-2-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C771-0006
ethyl 4-{[(5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophen-2-yl)carbonyl]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

C771-0006

Molecular Formula

C15H20N2O5S2 (C15 H20 N2 O5 S2)

Compound Name

ethyl 4-{[(5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophen-2-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{55-dioxo-4H6H-5lambda6-thieno[23-c]thiophene-2-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cc(CS(C2)(=O)=O)c2s1)=O)=O

InChI

InChI=1S/C15H20N2O5S2/c1-2-22-15(19)17-5-3-11(4-6-17)16-14(18)12-7-10-8-24(20,21)9-13(10)23-12/h7,11H,2-6,8-9H2,1H3,(H,16,18)

InChI Key

MOMGMEKFHDCSHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.404

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-2.21

Polar Surface Area

76.533

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C771-0006 in Drug Discovery

Included in Screening Libraries

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

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 C771-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C771-0006?
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What is the minimum amount of C771-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C771-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C771-0006
  • 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 C771-0006 available by request