Y040-8668 Screening compound: 6-[4-oxo-3(4H)-quinazolinyl]-N~1~-[3-(trifluoromethyl)phenyl]hexanamide

Y040-8668 Screening compound: 6-[4-oxo-3(4H)-quinazolinyl]-N~1~-[3-(trifluoromethyl)phenyl]hexanamide
Y040-8668 Screening compound: 6-[4-oxo-3(4H)-quinazolinyl]-N~1~-[3-(trifluoromethyl)phenyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8668
6-[4-oxo-3(4H)-quinazolinyl]-N~1~-[3-(trifluoromethyl)phenyl]hexanamide

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

Y040-8668

Molecular Formula

C21H20F3N3O2 (C21 H20 F3 N3 O2)

Compound Name

6-[4-oxo-3(4H)-quinazolinyl]-N~1~-[3-(trifluoromethyl)phenyl]hexanamide

IUPAC name

6-(4-oxo-34-dihydroquinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide

SMILES

O=C(CCCCCN(C=Nc1c2cccc1)C2=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C21H20F3N3O2/c22-21(23,24)15-7-6-8-16(13-15)26-19(28)11-2-1-5-12-27-14-25-18-10-4-3-9-17(18)20(27)29/h3-4,6-10,13-14H,1-2,5,11-12H2,(H,26,28)

InChI Key

DRWQDCRFPGDCOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06774055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.91

Polar Surface Area

49.467

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y040-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8668?
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What is the minimum amount of Y040-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8668
  • 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 Y040-8668 available by request