D070-0016 Screening compound: 1'-(4-methylbenzoyl)-3',4',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-one

D070-0016 Screening compound: 1'-(4-methylbenzoyl)-3',4',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-one
D070-0016 Screening compound: 1'-(4-methylbenzoyl)-3',4',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D070-0016
1'-(4-methylbenzoyl)-3',4',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-one

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

D070-0016

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

1'-(4-methylbenzoyl)-3',4',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-one

IUPAC name

1'-(4-methylbenzoyl)-3'4'5'6'7'8'-hexahydro-1'H-spiro[cyclohexane-12'-quinazolin]-4'-one

SMILES

Cc(cc1)ccc1C(N(C1(CCCCC1)N1)C(CCCC2)=C2C1=O)=O

InChI

InChI=1S/C21H26N2O2/c1-15-9-11-16(12-10-15)20(25)23-18-8-4-3-7-17(18)19(24)22-21(23)13-5-2-6-14-21/h9-12H,2-8,13-14H2,1H3,(H,22,24)

InChI Key

YYLVPMMZDJCUIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.72

Polar Surface Area

40.332

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

D070-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D070-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D070-0016?
Check Price and Availability of D070-0016, 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 D070-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D070-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D070-0016
  • 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 D070-0016 available by request