2798-1507 Screening compound: 3-(4-chlorophenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile

2798-1507 Screening compound: 3-(4-chlorophenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile
2798-1507 Screening compound: 3-(4-chlorophenyl)-3-oxo-2-[(2E)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-1507
3-(4-chlorophenyl)-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

2798-1507

Molecular Formula

C17H10ClN3O2 (C17 H10 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

N#C/C(/C(c(cc1)ccc1Cl)=O)=C(/Nc1c2cccc1)\NC2=O

InChI

InChI=1S/C17H10ClN3O2/c18-11-7-5-10(6-8-11)15(22)13(9-19)16-20-14-4-2-1-3-12(14)17(23)21-16/h1-8,20H,(H,21,23)

InChI Key

ALSCZJQYCXXEQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.74

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

2.920

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-4.10

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

0.00

2798-1507 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2798-1507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-1507?
Check Price and Availability of 2798-1507, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2798-1507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-1507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-1507
  • 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 2798-1507 available by request