2798-1509 Screening compound: 3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile

2798-1509 Screening compound: 3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile
2798-1509 Screening compound: 3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-1509
3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile

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

2798-1509

Molecular Formula

C18H13N3O2 (C18 H13 N3 O2)

Compound Name

3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile

IUPAC name

3-(4-methylphenyl)-3-oxo-2-[(2E)-4-oxo-1234-tetrahydroquinazolin-2-ylidene]propanenitrile

SMILES

Cc(cc1)ccc1C(/C(/C#N)=C(\Nc1c2cccc1)/NC2=O)=O

InChI

InChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)16(22)14(10-19)17-20-15-5-3-2-4-13(15)18(23)21-17/h2-9,20H,1H3,(H,21,23)

InChI Key

LYYKFPJATABGLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.748

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.63

Polar Surface Area

66.235

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2798-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-1509?
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What is the minimum amount of 2798-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-1509
  • 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 2798-1509 available by request