8498-5077 Screening compound: 4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one

8498-5077 Screening compound: 4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one
8498-5077 Screening compound: 4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8498-5077
4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one

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

8498-5077

Molecular Formula

C26H27N5O (C26 H27 N5 O)

Compound Name

4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

4-methyl-7-[(1E)-2-phenylethenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(N(CC2)CCN2c2ncccc2)nc(CC(C2)/C=C/c3ccccc3)c1C2=O

InChI

InChI=1S/C26H27N5O/c1-19-25-22(17-21(18-23(25)32)11-10-20-7-3-2-4-8-20)29-26(28-19)31-15-13-30(14-16-31)24-9-5-6-12-27-24/h2-12,21H,13-18H2,1H3/b11-10+/t21-/m1/s1

InChI Key

YGJBABVEHOGTJM-RQWLHQTBSA-N

MDL Number (MFCD)

MFCD07185822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.311

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.36

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8498-5077 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8498-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8498-5077?
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What is the minimum amount of 8498-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8498-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8498-5077
  • 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 8498-5077 available by request