8018-9076 Screening compound: 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile

8018-9076 Screening compound: 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
8018-9076 Screening compound: 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9076
6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile

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

8018-9076

Molecular Formula

C14H9F6N3 (C14 H9 F6 N3)

Compound Name

6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile

IUPAC name

6-methyl-2-phenyl-44-bis(trifluoromethyl)-14-dihydropyrimidine-5-carbonitrile

SMILES

CC(NC(c1ccccc1)=NC1(C(F)(F)F)C(F)(F)F)=C1C#N

InChI

InChI=1S/C14H9F6N3/c1-8-10(7-21)12(13(15,16)17,14(18,19)20)23-11(22-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,22,23)

InChI Key

OQJRJOYWAQVOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.81

Polar Surface Area

39.081

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-9076 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-9076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9076?
Check Price and Availability of 8018-9076, 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 8018-9076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9076
  • 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 8018-9076 available by request