M124-0997 Screening compound: methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate

M124-0997 Screening compound: methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
M124-0997 Screening compound: methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M124-0997
methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-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

M124-0997

Molecular Formula

C27H26FN3O4 (C27 H26 FN3 O4)

Compound Name

methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 2-{cyclopentyl[(furan-2-yl)methyl]amino}-3-[(4-fluorophenyl)methyl]-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N(Cc2ccco2)C2CCCC2)N2Cc(cc3)ccc3F)c1C2=O)=O

InChI

InChI=1S/C27H26FN3O4/c1-34-26(33)19-10-13-23-24(15-19)29-27(31(25(23)32)16-18-8-11-20(28)12-9-18)30(21-5-2-3-6-21)17-22-7-4-14-35-22/h4,7-15,21H,2-3,5-6,16-17H2,1H3

InChI Key

KCJUBCOFGGFCPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.04

Polar Surface Area

56.647

Acid Dissociation Constant (pKa)

27.93

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

M124-0997 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M124-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M124-0997?
Check Price and Availability of M124-0997, 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 M124-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M124-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M124-0997
  • 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 M124-0997 available by request