C741-1190 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide

C741-1190 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
C741-1190 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1190
N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}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

C741-1190

Molecular Formula

C30H40N6O3 (C30 H40 N6 O3)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{5-oxo-4-[3-(propan-2-yloxy)propyl]-4H5H-[124]triazolo[43-a]quinazolin-1-yl}propanamide

SMILES

CCN(CCCNC(CCc(n1-c2c3cccc2)nnc1N(CCCOC(C)C)C3=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C30H40N6O3/c1-5-34(24-12-8-11-23(4)21-24)18-9-17-31-28(37)16-15-27-32-33-30-35(19-10-20-39-22(2)3)29(38)25-13-6-7-14-26(25)36(27)30/h6-8,11-14,21-22H,5,9-10,15-20H2,1-4H3,(H,31,37)

InChI Key

NHLQLMBZLKPSBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.51

Polar Surface Area

74.460

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C741-1190 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C741-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1190?
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What is the minimum amount of C741-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1190
  • 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 C741-1190 available by request