C260-1603 Screening compound: N-(2,6-dimethylphenyl)-2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

C260-1603 Screening compound: N-(2,6-dimethylphenyl)-2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
C260-1603 Screening compound: N-(2,6-dimethylphenyl)-2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1603
N-(2,6-dimethylphenyl)-2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}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

C260-1603

Molecular Formula

C30H30N4O4 (C30 H30 N4 O4)

Compound Name

N-(2,6-dimethylphenyl)-2-{2,4-dioxo-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

IUPAC name

N-(26-dimethylphenyl)-2-{24-dioxo-3-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

Cc1cccc(C)c1NC(CN(c(cccc1)c1C(N1CCC(N(CC2)Cc3c2cccc3)=O)=O)C1=O)=O

InChI

InChI=1S/C30H30N4O4/c1-20-8-7-9-21(2)28(20)31-26(35)19-34-25-13-6-5-12-24(25)29(37)33(30(34)38)17-15-27(36)32-16-14-22-10-3-4-11-23(22)18-32/h3-13H,14-19H2,1-2H3,(H,31,35)

InChI Key

XCASHBDMNJQLME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.59

Polar Surface Area

69.053

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C260-1603 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 C260-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1603?
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What is the minimum amount of C260-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1603
  • 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 C260-1603 available by request