C741-0655 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide

C741-0655 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide
C741-0655 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0655
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide

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

C741-0655

Molecular Formula

C34H38ClN7O2 (C34 H38 ClN7 O2)

Compound Name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide

IUPAC name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}propanamide

SMILES

Cc1cc(N2CCN(CCCNC(CCc(n3-c4c5cccc4)nnc3N(Cc(cc3)ccc3Cl)C5=O)=O)CC2)c(C)cc1

InChI

InChI=1S/C34H38ClN7O2/c1-24-8-9-25(2)30(22-24)40-20-18-39(19-21-40)17-5-16-36-32(43)15-14-31-37-38-34-41(23-26-10-12-27(35)13-11-26)33(44)28-6-3-4-7-29(28)42(31)34/h3-4,6-13,22H,5,14-21,23H2,1-2H3,(H,36,43)

InChI Key

OTTTUPVSSLKOPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-4.48

Polar Surface Area

70.961

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with C741-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0655?
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What is the minimum amount of C741-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0655
  • 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 C741-0655 available by request