F470-0042 Screening compound: 2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F470-0042 Screening compound: 2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F470-0042 Screening compound: 2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F470-0042
2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-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

F470-0042

Molecular Formula

C26H30N6O4 (C26 H30 N6 O4)

Compound Name

2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-[(benzylcarbamoyl)methyl]-N-(butan-2-yl)-15-dioxo-4-propyl-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(C(N1c2c3ccc(C(NC(C)CC)=O)c2)=NN(CC(NCc2ccccc2)=O)C1=O)C3=O

InChI

InChI=1S/C26H30N6O4/c1-4-13-30-24(35)20-12-11-19(23(34)28-17(3)5-2)14-21(20)32-25(30)29-31(26(32)36)16-22(33)27-15-18-9-7-6-8-10-18/h6-12,14,17H,4-5,13,15-16H2,1-3H3,(H,27,33)(H,28,34)/t17-/m0/s1

InChI Key

JTHNRZTVSLNNPY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27131513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-3.18

Polar Surface Area

96.783

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

F470-0042 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F470-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F470-0042?
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What is the minimum amount of F470-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F470-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F470-0042
  • 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 F470-0042 available by request