C066-1269 Screening compound: N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamide

C066-1269 Screening compound: N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamide
C066-1269 Screening compound: N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1269
N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamide

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

C066-1269

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamide

IUPAC name

N-cycloheptyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-34-dihydroquinazolin-3-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc2c1N=CN(CC(NC1CCCCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C23H32N4O4S/c1-17-10-12-27(13-11-17)32(30,31)19-8-9-21-20(14-19)23(29)26(16-24-21)15-22(28)25-18-6-4-2-3-5-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,25,28)

InChI Key

CWJVAHZKHUVIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.049

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.71

Polar Surface Area

82.578

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

C066-1269 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-1269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1269?
Check Price and Availability of C066-1269, 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 C066-1269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1269
  • 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 C066-1269 available by request