4258-0020 Screening compound: N-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl}butanamide

4258-0020 Screening compound: N-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl}butanamide
4258-0020 Screening compound: N-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4258-0020
N-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl}butanamide

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

4258-0020

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

N-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl}butanamide

IUPAC name

N-{4-oxo-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-3-yl}butanamide

SMILES

CCCC(NN(C=NC1=C2C3(CCCC3)Cc3c1cccc3)C2=O)=O

InChI

InChI=1S/C20H23N3O2/c1-2-7-16(24)22-23-13-21-18-15-9-4-3-8-14(15)12-20(10-5-6-11-20)17(18)19(23)25/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,24)

InChI Key

IOHOQMPGMKTRKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01552721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-3.21

Polar Surface Area

52.402

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

4258-0020 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4258-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4258-0020?
Check Price and Availability of 4258-0020, 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 4258-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4258-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4258-0020
  • 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 4258-0020 available by request