V027-4985 Screening compound: 1-dodecanoyl-6'-methyl-1'{H}-spiro[piperidine-4,2'-quinazolin]-4'(3'{H})-one

V027-4985 Screening compound: 1-dodecanoyl-6'-methyl-1'{H}-spiro[piperidine-4,2'-quinazolin]-4'(3'{H})-one
V027-4985 Screening compound: 1-dodecanoyl-6'-methyl-1'{H}-spiro[piperidine-4,2'-quinazolin]-4'(3'{H})-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4985
1-dodecanoyl-6'-methyl-1'{H}-spiro[piperidine-4,2'-quinazolin]-4'(3'{H})-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

V027-4985

Molecular Formula

C25H39N3O2 (C25 H39 N3 O2)

Compound Name

1-dodecanoyl-6'-methyl-1'{H}-spiro[piperidine-4,2'-quinazolin]-4'(3'{H})-one

IUPAC name

1-dodecanoyl-6'-methyl-3'4'-dihydro-1'H-spiro[piperidine-42'-quinazolin]-4'-one

SMILES

CCCCCCCCCCCC(N(CC1)CCC1(Nc1c2cc(C)cc1)NC2=O)=O

InChI

InChI=1S/C25H39N3O2/c1-3-4-5-6-7-8-9-10-11-12-23(29)28-17-15-25(16-18-28)26-22-14-13-20(2)19-21(22)24(30)27-25/h13-14,19,26H,3-12,15-18H2,1-2H3,(H,27,30)

InChI Key

JIPGXWSXJDPMPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939088

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.885

Distribution Coefficient, logD

5.885

Water Solubility, LogSw

-5.27

Polar Surface Area

52.942

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

V027-4985 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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

References: we are preparing a list of scientific research reports with V027-4985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4985?
Check Price and Availability of V027-4985, 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 V027-4985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4985
  • 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 V027-4985 available by request