C741-0549 Screening compound: 1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0549 Screening compound: 1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0549 Screening compound: 1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0549
1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-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

C741-0549

Molecular Formula

C36H33FN6O2 (C36 H33 FN6 O2)

Compound Name

1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1F)C3=O)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C36H33FN6O2/c37-29-17-15-26(16-18-29)25-42-35(45)30-13-7-8-14-31(30)43-32(38-39-36(42)43)19-20-33(44)40-21-23-41(24-22-40)34(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-18,34H,19-25H2

InChI Key

ZQJPQYYXGQABQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.75

Polar Surface Area

58.660

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C741-0549 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C741-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0549?
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What is the minimum amount of C741-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0549
  • 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 C741-0549 available by request