F471-0944 Screening compound: N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0944 Screening compound: N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0944 Screening compound: N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0944
N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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

F471-0944

Molecular Formula

C28H31N5O5 (C28 H31 N5 O5)

Compound Name

N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclohexyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-15-dioxo-4-(propan-2-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)N(C(N1c2c3ccc(C(NC4CCCCC4)=O)c2)=NN(CC(c2cc(OC)ccc2)=O)C1=O)C3=O

InChI

InChI=1S/C28H31N5O5/c1-17(2)32-26(36)22-13-12-19(25(35)29-20-9-5-4-6-10-20)15-23(22)33-27(32)30-31(28(33)37)16-24(34)18-8-7-11-21(14-18)38-3/h7-8,11-15,17,20H,4-6,9-10,16H2,1-3H3,(H,29,35)

InChI Key

YKIORDYLZPFXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.852

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.14

Polar Surface Area

92.857

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F471-0944 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F471-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0944?
Check Price and Availability of F471-0944, 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 F471-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0944
  • 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 F471-0944 available by request