D367-0465 Screening compound: 7,7-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one

D367-0465 Screening compound: 7,7-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one
D367-0465 Screening compound: 7,7-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0465
7,7-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-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

D367-0465

Molecular Formula

C17H16F3N3O (C17 H16 F3 N3 O)

Compound Name

7,7-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

77-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)(Cc1c2cnc(Nc3cccc(C(F)(F)F)c3)n1)CC2=O

InChI

InChI=1S/C17H16F3N3O/c1-16(2)7-13-12(14(24)8-16)9-21-15(23-13)22-11-5-3-4-10(6-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,21,22,23)

InChI Key

DBHTVYKJUZBVHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.31

Polar Surface Area

44.047

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D367-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0465?
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What is the minimum amount of D367-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0465
  • 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 D367-0465 available by request