C741-0594 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide

C741-0594 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide
C741-0594 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0594
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)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

C741-0594

Molecular Formula

C28H26ClN5O5 (C28 H26 ClN5 O5)

Compound Name

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

IUPAC name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(NC(CCc(n2-c3c4cccc3)nnc2N(Cc(cc2)ccc2Cl)C4=O)=O)cc(OC)c1OC

InChI

InChI=1S/C28H26ClN5O5/c1-37-22-14-19(15-23(38-2)26(22)39-3)30-25(35)13-12-24-31-32-28-33(16-17-8-10-18(29)11-9-17)27(36)20-6-4-5-7-21(20)34(24)28/h4-11,14-15H,12-13,16H2,1-3H3,(H,30,35)

InChI Key

WFFJSHWKTXZZPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.77

Polar Surface Area

85.834

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C741-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0594?
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What is the minimum amount of C741-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0594
  • 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 C741-0594 available by request