C260-1315 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

C260-1315 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
C260-1315 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1315
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

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

C260-1315

Molecular Formula

C30H30N4O5 (C30 H30 N4 O5)

Compound Name

4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

IUPAC name

4-{1-[(2-cyanophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-[2-(34-dimethoxyphenyl)ethyl]butanamide

SMILES

COc(ccc(CCNC(CCCN(C(c(cccc1)c1N1Cc(cccc2)c2C#N)=O)C1=O)=O)c1)c1OC

InChI

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

InChI Key

RWNPPVFNVAFRLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737772

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

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-3.03

Polar Surface Area

87.875

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C260-1315 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1315?
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What is the minimum amount of C260-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1315
  • 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 C260-1315 available by request