8610-0671 Screening compound: 7-(dibutylamino)-5,8-difluoro-4-(3-pyridylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0671 Screening compound: 7-(dibutylamino)-5,8-difluoro-4-(3-pyridylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0671 Screening compound: 7-(dibutylamino)-5,8-difluoro-4-(3-pyridylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0671
7-(dibutylamino)-5,8-difluoro-4-(3-pyridylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

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

8610-0671

Molecular Formula

C21H28F2N4O2S (C21 H28 F2 N4 O2 S)

Compound Name

7-(dibutylamino)-5,8-difluoro-4-(3-pyridylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

IUPAC name

7-(dibutylamino)-58-difluoro-4-[(pyridin-3-yl)methyl]-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

CCCCN(CCCC)c(c(F)c12)nc(F)c2N(Cc2cnccc2)CCS1(=O)=O

InChI

InChI=1S/C21H28F2N4O2S/c1-3-5-10-26(11-6-4-2)21-17(22)19-18(20(23)25-21)27(12-13-30(19,28)29)15-16-8-7-9-24-14-16/h7-9,14H,3-6,10-13,15H2,1-2H3

InChI Key

DHFADEWKMYBBHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-3.78

Polar Surface Area

56.446

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

8610-0671 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8610-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0671?
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What is the minimum amount of 8610-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0671
  • 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 8610-0671 available by request