8610-0608 Screening compound: ethyl 4-(4-cyclohexyl-5,8-difluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl)tetrahydro-1(2H)-pyrazinecarboxylate

8610-0608 Screening compound: ethyl 4-(4-cyclohexyl-5,8-difluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl)tetrahydro-1(2H)-pyrazinecarboxylate
8610-0608 Screening compound: ethyl 4-(4-cyclohexyl-5,8-difluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0608
ethyl 4-(4-cyclohexyl-5,8-difluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl)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

8610-0608

Molecular Formula

C20H28F2N4O4S (C20 H28 F2 N4 O4 S)

Compound Name

ethyl 4-(4-cyclohexyl-5,8-difluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{4-cyclohexyl-58-difluoro-11-dioxo-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-7-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(c(F)c1S(CC2)(=O)=O)nc(F)c1N2C1CCCCC1)=O

InChI

InChI=1S/C20H28F2N4O4S/c1-2-30-20(27)25-10-8-24(9-11-25)19-15(21)17-16(18(22)23-19)26(12-13-31(17,28)29)14-6-4-3-5-7-14/h14H,2-13H2,1H3

InChI Key

RDNVQVCLECYRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.76

Polar Surface Area

69.305

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

8610-0608 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8610-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0608?
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What is the minimum amount of 8610-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0608
  • 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 8610-0608 available by request