C260-1190 Screening compound: 2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide

C260-1190 Screening compound: 2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide
C260-1190 Screening compound: 2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1190
2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide

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

C260-1190

Molecular Formula

C30H30N4O5 (C30 H30 N4 O5)

Compound Name

2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{24-dioxo-3-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-1234-tetrahydroquinazolin-1-yl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCC(N(CC2)Cc3c2cccc3)=O)=O)C1=O)=O

InChI

InChI=1S/C30H30N4O5/c1-2-39-24-13-11-23(12-14-24)31-27(35)20-34-26-10-6-5-9-25(26)29(37)33(30(34)38)18-16-28(36)32-17-15-21-7-3-4-8-22(21)19-32/h3-14H,2,15-20H2,1H3,(H,31,35)

InChI Key

QUDJDHZAIIIEQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.83

Polar Surface Area

77.573

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C260-1190 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C260-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1190?
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What is the minimum amount of C260-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1190
  • 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 C260-1190 available by request