8019-8905 Screening compound: 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane

8019-8905 Screening compound: 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
8019-8905 Screening compound: 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8905
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane

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

8019-8905

Molecular Formula

C11H18N5S (C11 H18 N5 S)

Compound Name

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane

IUPAC name

1-[(2-methyl-13-thiazol-5-yl)methyl]-1357-tetraazatricyclo[3.3.1.1^{37}]decan-1-ium

SMILES

Cc1ncc(C[N+]2(CN(C3)C4)CN4CN3C2)s1

InChI

InChI=1S/C11H18N5S/c1-10-12-2-11(17-10)3-16-7-13-4-14(8-16)6-15(5-13)9-16/h2H,3-9H2,1H3/q+1

InChI Key

OVKFACHBCTUKBV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

1.575

Water Solubility, LogSw

-1.54

Polar Surface Area

25.126

Acid Dissociation Constant (pKa)

30.91

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

8019-8905 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8905?
Check Price and Availability of 8019-8905, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-8905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8905
  • 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 8019-8905 available by request