8610-0720 Screening compound: ethyl 4-[5,8-difluoro-4-(2-furylmethyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]tetrahydro-1(2H)-pyrazinecarboxylate

8610-0720 Screening compound: ethyl 4-[5,8-difluoro-4-(2-furylmethyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]tetrahydro-1(2H)-pyrazinecarboxylate
8610-0720 Screening compound: ethyl 4-[5,8-difluoro-4-(2-furylmethyl)-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 8610-0720
ethyl 4-[5,8-difluoro-4-(2-furylmethyl)-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

8610-0720

Molecular Formula

C19H22F2N4O5S (C19 H22 F2 N4 O5 S)

Compound Name

ethyl 4-[5,8-difluoro-4-(2-furylmethyl)-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-{58-difluoro-4-[(furan-2-yl)methyl]-11-dioxo-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-7-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(c(F)c12)nc(F)c2N(Cc2ccco2)CCS1(=O)=O)=O

InChI

InChI=1S/C19H22F2N4O5S/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/h3-4,10H,2,5-9,11-12H2,1H3

InChI Key

MVERBDVTIXICPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.47

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

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-2.84

Polar Surface Area

77.666

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

8610-0720 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8610-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0720?
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What is the minimum amount of 8610-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0720
  • 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 8610-0720 available by request