C260-1301 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

C260-1301 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide
C260-1301 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1301
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-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

C260-1301

Molecular Formula

C29H29FN4O6 (C29 H29 FN4 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(CCN(C(c(cccc1)c1N1CC(Nc(cccc2)c2F)=O)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C29H29FN4O6/c1-39-24-12-11-19(17-25(24)40-2)13-15-31-26(35)14-16-33-28(37)20-7-3-6-10-23(20)34(29(33)38)18-27(36)32-22-9-5-4-8-21(22)30/h3-12,17H,13-16,18H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

RXEISWDWJHJSEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-3.04

Polar Surface Area

93.271

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-1301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 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 C260-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1301?
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What is the minimum amount of C260-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1301
  • 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 C260-1301 available by request