G006-0085 Screening compound: ethyl 1-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperidine-4-carboxylate

G006-0085 Screening compound: ethyl 1-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperidine-4-carboxylate
G006-0085 Screening compound: ethyl 1-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G006-0085
ethyl 1-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperidine-4-carboxylate

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

G006-0085

Molecular Formula

C16H18N6O2 (C16 H18 N6 O2)

Compound Name

ethyl 1-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[1234]tetrazolo[51-a]phthalazin-6-yl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c1nn2nnnc2c2c1cccc2)=O

InChI

InChI=1S/C16H18N6O2/c1-2-24-16(23)11-7-9-21(10-8-11)15-13-6-4-3-5-12(13)14-17-19-20-22(14)18-15/h3-6,11H,2,7-10H2,1H3

InChI Key

VSWMIEGWSSBSCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.41

Polar Surface Area

71.078

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

G006-0085 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 G006-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G006-0085?
Check Price and Availability of G006-0085, 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 G006-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G006-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G006-0085
  • 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 G006-0085 available by request