C066-1477 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-[6-[(4-methylpiperidino)sulfonyl]-4-oxo-3(4H)-quinazolinyl]acetamide

C066-1477 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-[6-[(4-methylpiperidino)sulfonyl]-4-oxo-3(4H)-quinazolinyl]acetamide
C066-1477 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-[6-[(4-methylpiperidino)sulfonyl]-4-oxo-3(4H)-quinazolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1477
N~1~-(2-methoxy-5-methylphenyl)-2-[6-[(4-methylpiperidino)sulfonyl]-4-oxo-3(4H)-quinazolinyl]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

C066-1477

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

N~1~-(2-methoxy-5-methylphenyl)-2-[6-[(4-methylpiperidino)sulfonyl]-4-oxo-3(4H)-quinazolinyl]acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-34-dihydroquinazolin-3-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc2c1N=CN(CC(Nc(cc(C)cc1)c1OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C24H28N4O5S/c1-16-8-10-28(11-9-16)34(31,32)18-5-6-20-19(13-18)24(30)27(15-25-20)14-23(29)26-21-12-17(2)4-7-22(21)33-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,26,29)

InChI Key

WYLFLIJABCPETE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-3.26

Polar Surface Area

88.132

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C066-1477 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1477?
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What is the minimum amount of C066-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1477
  • 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 C066-1477 available by request