8498-5069 Screening compound: 4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-5-one

8498-5069 Screening compound: 4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-5-one
8498-5069 Screening compound: 4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8498-5069
4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-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

8498-5069

Molecular Formula

C24H23F3N4OS (C24 H23 F3 N4 OS)

Compound Name

4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

4-methyl-7-(thiophen-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)nc(CC(C2)c3cccs3)c1C2=O

InChI

InChI=1S/C24H23F3N4OS/c1-15-22-19(12-16(13-20(22)32)21-6-3-11-33-21)29-23(28-15)31-9-7-30(8-10-31)18-5-2-4-17(14-18)24(25,26)27/h2-6,11,14,16H,7-10,12-13H2,1H3/t16-/m0/s1

InChI Key

RYXHEIMTTHUMQH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07185817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.61

Polar Surface Area

40.442

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8498-5069 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8498-5069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8498-5069?
Check Price and Availability of 8498-5069, 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 8498-5069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8498-5069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8498-5069
  • 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 8498-5069 available by request