F470-0068 Screening compound: N-(butan-2-yl)-2-{[methyl(phenyl)carbamoyl]methyl}-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F470-0068 Screening compound: N-(butan-2-yl)-2-{[methyl(phenyl)carbamoyl]methyl}-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F470-0068 Screening compound: N-(butan-2-yl)-2-{[methyl(phenyl)carbamoyl]methyl}-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 F470-0068
N-(butan-2-yl)-2-{[methyl(phenyl)carbamoyl]methyl}-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

F470-0068

Molecular Formula

C26H30N6O4 (C26 H30 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(N1c2c3ccc(C(NC(C)CC)=O)c2)=NN(CC(N(C)c2ccccc2)=O)C1=O)C3=O

InChI

InChI=1S/C26H30N6O4/c1-5-14-30-24(35)20-13-12-18(23(34)27-17(3)6-2)15-21(20)32-25(30)28-31(26(32)36)16-22(33)29(4)19-10-8-7-9-11-19/h7-13,15,17H,5-6,14,16H2,1-4H3,(H,27,34)/t17-/m0/s1

InChI Key

QNDIRETZKPPDGI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27131527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.99

Polar Surface Area

87.425

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

F470-0068 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F470-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F470-0068?
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What is the minimum amount of F470-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F470-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F470-0068
  • 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 F470-0068 available by request