F471-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(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 F471-0618
2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(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

F471-0618

Molecular Formula

C30H31N5O3 (C30 H31 N5 O3)

Compound Name

2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-[(25-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-15-dioxo-N-(propan-2-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N2C(N3Cc4ccc(C)cc4)=NN(Cc4c(C)ccc(C)c4)C2=O)c1C3=O)=O

InChI

InChI=1S/C30H31N5O3/c1-18(2)31-27(36)23-12-13-25-26(15-23)35-29(33(28(25)37)16-22-10-7-19(3)8-11-22)32-34(30(35)38)17-24-14-20(4)6-9-21(24)5/h6-15,18H,16-17H2,1-5H3,(H,31,36)

InChI Key

FHOBVLSUZJEMDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.27

Polar Surface Area

71.594

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

F471-0618 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F471-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0618?
Check Price and Availability of F471-0618, 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 F471-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0618
  • 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 F471-0618 available by request