8610-0278 Screening compound: methyl 3-[(8-chloro-4-cyclohexyl-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzoate

8610-0278 Screening compound: methyl 3-[(8-chloro-4-cyclohexyl-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzoate
8610-0278 Screening compound: methyl 3-[(8-chloro-4-cyclohexyl-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0278
methyl 3-[(8-chloro-4-cyclohexyl-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzoate

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

8610-0278

Molecular Formula

C21H22ClFN2O5S (C21 H22 ClFN2 O5 S)

Compound Name

methyl 3-[(8-chloro-4-cyclohexyl-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzoate

IUPAC name

methyl 3-({8-chloro-4-cyclohexyl-7-fluoro-11-dioxo-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-5-yl}oxy)benzoate

SMILES

COC(c1cccc(Oc(c(N(CC2)C3CCCCC3)c3S2(=O)=O)nc(F)c3Cl)c1)=O

InChI

InChI=1S/C21H22ClFN2O5S/c1-29-21(26)13-6-5-9-15(12-13)30-20-17-18(16(22)19(23)24-20)31(27,28)11-10-25(17)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3

InChI Key

OOGYQROYYVNMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-5.21

Polar Surface Area

71.818

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8610-0278 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8610-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0278?
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What is the minimum amount of 8610-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0278
  • 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 8610-0278 available by request