8610-0706 Screening compound: ethyl 4-[5,8-difluoro-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]tetrahydro-1(2H)-pyrazinecarboxylate

8610-0706 Screening compound: ethyl 4-[5,8-difluoro-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]tetrahydro-1(2H)-pyrazinecarboxylate
8610-0706 Screening compound: ethyl 4-[5,8-difluoro-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-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 8610-0706
ethyl 4-[5,8-difluoro-1,1-dioxo-4-(tetrahydro-2-furanylmethyl)-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

8610-0706

Molecular Formula

C19H26F2N4O5S (C19 H26 F2 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1c(c(F)c12)nc(F)c2N(CC2OCCC2)CCS1(=O)=O)=O

InChI

InChI=1S/C19H26F2N4O5S/c1-2-29-19(26)24-7-5-23(6-8-24)18-14(20)16-15(17(21)22-18)25(9-11-31(16,27)28)12-13-4-3-10-30-13/h13H,2-12H2,1H3/t13-/m1/s1

InChI Key

OXTIOWKVABGEIG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD08053501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.860

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-2.20

Polar Surface Area

78.572

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

8610-0706 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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 8610-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0706?
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What is the minimum amount of 8610-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0706
  • 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 8610-0706 available by request