C260-1498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

C260-1498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide
C260-1498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1498
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-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

C260-1498

Molecular Formula

C30H30N4O6 (C30 H30 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(24-dioxo-1-{[(246-trimethylphenyl)carbamoyl]methyl}-1234-tetrahydroquinazolin-3-yl)propanamide

SMILES

Cc(cc1C)cc(C)c1NC(CN(c(cccc1)c1C(N1CCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C30H30N4O6/c1-18-12-19(2)28(20(3)13-18)32-27(36)16-34-23-7-5-4-6-22(23)29(37)33(30(34)38)11-10-26(35)31-15-21-8-9-24-25(14-21)40-17-39-24/h4-9,12-14H,10-11,15-17H2,1-3H3,(H,31,35)(H,32,36)

InChI Key

VTLBKCRFJDCPMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.67

Polar Surface Area

94.586

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C260-1498 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 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 C260-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1498?
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What is the minimum amount of C260-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1498
  • 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 C260-1498 available by request