F470-1014 Screening compound: N-(butan-2-yl)-2-(carbamoylmethyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F470-1014 Screening compound: N-(butan-2-yl)-2-(carbamoylmethyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F470-1014 Screening compound: N-(butan-2-yl)-2-(carbamoylmethyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F470-1014
N-(butan-2-yl)-2-(carbamoylmethyl)-1,5-dioxo-4-(prop-2-en-1-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

F470-1014

Molecular Formula

C19H22N6O4 (C19 H22 N6 O4)

Compound Name

N-(butan-2-yl)-2-(carbamoylmethyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-(butan-2-yl)-2-(carbamoylmethyl)-15-dioxo-4-(prop-2-en-1-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCC(C)NC(c(cc1)cc(N2C(N3CC=C)=NN(CC(N)=O)C2=O)c1C3=O)=O

InChI

InChI=1S/C19H22N6O4/c1-4-8-23-17(28)13-7-6-12(16(27)21-11(3)5-2)9-14(13)25-18(23)22-24(19(25)29)10-15(20)26/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H2,20,26)(H,21,27)/t11-/m0/s1

InChI Key

GEEBCESBWTVHQI-NSHDSACASA-N

MDL Number (MFCD)

MFCD16637452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.012

Distribution Coefficient, logD

-0.012

Water Solubility, LogSw

-2.40

Polar Surface Area

105.971

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

F470-1014 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F470-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F470-1014?
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What is the minimum amount of F470-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F470-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F470-1014
  • 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 F470-1014 available by request