K221-2847 Screening compound: 3-[4-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)benzyl]-2,4(1H,3H)-quinazolinedione

K221-2847 Screening compound: 3-[4-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)benzyl]-2,4(1H,3H)-quinazolinedione
K221-2847 Screening compound: 3-[4-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)benzyl]-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2847
3-[4-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)benzyl]-2,4(1H,3H)-quinazolinedione

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

K221-2847

Molecular Formula

C27H23F3N4O3 (C27 H23 F3 N4 O3)

Compound Name

3-[4-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)benzyl]-2,4(1H,3H)-quinazolinedione

IUPAC name

3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(c1ccc(CN(C(c(cccc2)c2N2)=O)C2=O)cc1)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H23F3N4O3/c28-27(29,30)20-4-3-5-21(16-20)32-12-14-33(15-13-32)24(35)19-10-8-18(9-11-19)17-34-25(36)22-6-1-2-7-23(22)31-26(34)37/h1-11,16H,12-15,17H2,(H,31,37)

InChI Key

GQJBYENSCZRRFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.31

Polar Surface Area

60.389

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

K221-2847 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2847?
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What is the minimum amount of K221-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2847
  • 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 K221-2847 available by request