M124-0180 Screening compound: methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate

M124-0180 Screening compound: methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
M124-0180 Screening compound: methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M124-0180
methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate

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

M124-0180

Molecular Formula

C27H27N5O3 (C27 H27 N5 O3)

Compound Name

methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 4-oxo-3-(2-phenylethyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]-34-dihydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N2CCc3ccccc3)N(CC3)CCN3c3ncccc3)c1C2=O)=O

InChI

InChI=1S/C27H27N5O3/c1-35-26(34)21-10-11-22-23(19-21)29-27(32(25(22)33)14-12-20-7-3-2-4-8-20)31-17-15-30(16-18-31)24-9-5-6-13-28-24/h2-11,13,19H,12,14-18H2,1H3

InChI Key

JBPAQYVPPNCZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.31

Polar Surface Area

61.746

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

M124-0180 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M124-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M124-0180?
Check Price and Availability of M124-0180, 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 M124-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M124-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M124-0180
  • 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 M124-0180 available by request