8012-0115 Screening compound: 2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid

8012-0115 Screening compound: 2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid
8012-0115 Screening compound: 2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0115
2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid

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

8012-0115

Molecular Formula

C26H23N5O5 (C26 H23 N5 O5)

Compound Name

2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid

IUPAC name

2-[6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazol]-1-yl]acetic acid

SMILES

CCCCOc(cc1)ccc1-c1n[nH]c2c1C(c(cccc1)c1N1CC(O)=O)(C1=O)C(C#N)=C(N)O2

InChI

InChI=1S/C26H23N5O5/c1-2-3-12-35-16-10-8-15(9-11-16)22-21-24(30-29-22)36-23(28)18(13-27)26(21)17-6-4-5-7-19(17)31(25(26)34)14-20(32)33/h4-11H,2-3,12,14,28H2,1H3,(H,29,30)(H,32,33)/t26-/m0/s1

InChI Key

AGYPNSOCGRWEGS-SANMLTNESA-N

MDL Number (MFCD)

MFCD03035509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

-2.025

Water Solubility, LogSw

-3.10

Polar Surface Area

122.015

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8012-0115 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0115?
Check Price and Availability of 8012-0115, 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 8012-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0115
  • 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 8012-0115 available by request