M124-0612 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

M124-0612 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
M124-0612 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M124-0612
methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-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

M124-0612

Molecular Formula

C28H27FN4O3 (C28 H27 FN4 O3)

Compound Name

methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 2-(4-benzylpiperazin-1-yl)-3-(3-fluoro-4-methylphenyl)-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

Cc(ccc(N1C(N2CCN(Cc3ccccc3)CC2)=Nc(cc(cc2)C(OC)=O)c2C1=O)c1)c1F

InChI

InChI=1S/C28H27FN4O3/c1-19-8-10-22(17-24(19)29)33-26(34)23-11-9-21(27(35)36-2)16-25(23)30-28(33)32-14-12-31(13-15-32)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3

InChI Key

JNUPFZWATWHLQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-4.26

Polar Surface Area

52.925

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M124-0612 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M124-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M124-0612?
Check Price and Availability of M124-0612, 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 M124-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M124-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M124-0612
  • 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 M124-0612 available by request