C066-1280 Screening compound: methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamido)benzoate

C066-1280 Screening compound: methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamido)benzoate
C066-1280 Screening compound: methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1280
methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamido)benzoate

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

C066-1280

Molecular Formula

C24H26N4O6S (C24 H26 N4 O6 S)

Compound Name

methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3,4-dihydroquinazolin-3-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-34-dihydroquinazolin-3-yl}acetamido)benzoate

SMILES

CC(CC1)CCN1S(c(cc1)cc2c1N=CN(CC(Nc(cccc1)c1C(OC)=O)=O)C2=O)(=O)=O

InChI

InChI=1S/C24H26N4O6S/c1-16-9-11-28(12-10-16)35(32,33)17-7-8-20-19(13-17)23(30)27(15-25-20)14-22(29)26-21-6-4-3-5-18(21)24(31)34-2/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,26,29)

InChI Key

UKRUGLWXHCHMJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-3.12

Polar Surface Area

101.675

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-1280 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-1280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1280?
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What is the minimum amount of C066-1280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1280
  • 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 C066-1280 available by request