8012-3626 Screening compound: 6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

8012-3626 Screening compound: 6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
8012-3626 Screening compound: 6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3626
6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

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

8012-3626

Molecular Formula

C22H16FN5O2 (C22 H16 FN5 O2)

Compound Name

6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

IUPAC name

6'-amino-1-ethyl-3'-(4-fluorophenyl)-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazole]-5'-carbonitrile

SMILES

CCN(C(C12C(C#N)=C(N)Oc3c1c(-c(cc1)ccc1F)n[nH]3)=O)c1c2cccc1

InChI

InChI=1S/C22H16FN5O2/c1-2-28-16-6-4-3-5-14(16)22(21(28)29)15(11-24)19(25)30-20-17(22)18(26-27-20)12-7-9-13(23)10-8-12/h3-10H,2,25H2,1H3,(H,26,27)/t22-/m0/s1

InChI Key

KOJMSZYYYYOVRJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03035947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.45

Polar Surface Area

85.938

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with 8012-3626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3626?
Check Price and Availability of 8012-3626, 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 8012-3626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3626
  • 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 8012-3626 available by request