6114-0461 Screening compound: tert-butyl 6'-amino-3'-butyl-5'-cyano-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate

6114-0461 Screening compound: tert-butyl 6'-amino-3'-butyl-5'-cyano-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate
6114-0461 Screening compound: tert-butyl 6'-amino-3'-butyl-5'-cyano-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0461
tert-butyl 6'-amino-3'-butyl-5'-cyano-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-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

6114-0461

Molecular Formula

C20H29N5O3 (C20 H29 N5 O3)

Compound Name

tert-butyl 6'-amino-3'-butyl-5'-cyano-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate

IUPAC name

n/a

SMILES

CCCCc1c(C(CC2)(CCN2C(OC(C)(C)C)=O)C(C#N)=C(N)O2)c2n[nH]1

InChI

InChI=1S/C20H29N5O3/c1-5-6-7-14-15-17(24-23-14)27-16(22)13(12-21)20(15)8-10-25(11-9-20)18(26)28-19(2,3)4/h5-11,22H2,1-4H3,(H,23,24)

InChI Key

ZEXXRARWFUJPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.50

Polar Surface Area

93.322

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with 6114-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0461?
Check Price and Availability of 6114-0461, 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 6114-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0461
  • 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 6114-0461 available by request