C260-1276 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C260-1276 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
C260-1276 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1276
3-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C260-1276

Molecular Formula

C28H28ClN3O5 (C28 H28 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(CCN(C(c(cccc1)c1N1Cc(cc2)ccc2Cl)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C28H28ClN3O5/c1-36-24-12-9-19(17-25(24)37-2)13-15-30-26(33)14-16-31-27(34)22-5-3-4-6-23(22)32(28(31)35)18-20-7-10-21(29)11-8-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)

InChI Key

PZNAJLLJZATDPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.99

Polar Surface Area

70.819

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C260-1276 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1276?
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What is the minimum amount of C260-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1276
  • 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 C260-1276 available by request