5256-0805 Screening compound: ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,4-dihydro-3(2H)-quinazolinecarboxylate

5256-0805 Screening compound: ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,4-dihydro-3(2H)-quinazolinecarboxylate
5256-0805 Screening compound: ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,4-dihydro-3(2H)-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-0805
ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,4-dihydro-3(2H)-quinazolinecarboxylate

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

5256-0805

Molecular Formula

C13H10F6N2O3 (C13 H10 F6 N2 O3)

Compound Name

ethyl 4-oxo-2,2-bis(trifluoromethyl)-1,4-dihydro-3(2H)-quinazolinecarboxylate

IUPAC name

n/a

SMILES

CCOC(N(C(C(F)(F)F)(C(F)(F)F)Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C13H10F6N2O3/c1-2-24-10(23)21-9(22)7-5-3-4-6-8(7)20-11(21,12(14,15)16)13(17,18)19/h3-6,20H,2H2,1H3

InChI Key

GIILDSMAVKBKOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00566114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-3.72

Polar Surface Area

47.057

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-8.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

5256-0805 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 5256-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-0805?
Check Price and Availability of 5256-0805, 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 5256-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-0805
  • 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 5256-0805 available by request