8012-9479 Screening compound: 3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

8012-9479 Screening compound: 3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione
8012-9479 Screening compound: 3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9479
3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

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

8012-9479

Molecular Formula

C25H21N3O3 (C25 H21 N3 O3)

Compound Name

3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

IUPAC name

3'-(2-methoxyphenyl)-1-(prop-2-en-1-yl)-123'4'-tetrahydro-1'H-spiro[indole-32'-quinazoline]-24'-dione

SMILES

COc(cccc1)c1N(C(c(cccc1)c1N1CC=C)(C1=O)Nc1c2cccc1)C2=O

InChI

InChI=1S/C25H21N3O3/c1-3-16-27-20-13-7-5-11-18(20)25(24(27)30)26-19-12-6-4-10-17(19)23(29)28(25)21-14-8-9-15-22(21)31-2/h3-15,26H,1,16H2,2H3/t25-/m0/s1

InChI Key

ICNRHSXEHSIYCI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03307824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.24

Polar Surface Area

49.616

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8012-9479 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-9479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9479?
Check Price and Availability of 8012-9479, 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 8012-9479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9479
  • 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 8012-9479 available by request