8018-1537 Screening compound: 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one

8018-1537 Screening compound: 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one
8018-1537 Screening compound: 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1537
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-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

8018-1537

Molecular Formula

C24H30N4O2S (C24 H30 N4 O2 S)

Compound Name

2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

O=C(CSC(N1)=Nc(cccc2)c2C1=O)N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C24H30N4O2S/c29-21(15-31-23-25-20-4-2-1-3-19(20)22(30)26-23)27-5-7-28(8-6-27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18H,5-15H2,(H,25,26,30)

InChI Key

WGOKQJGRCUWLCI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.97

Polar Surface Area

53.846

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8018-1537 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8018-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1537?
Check Price and Availability of 8018-1537, 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 8018-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1537
  • 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 8018-1537 available by request