C260-1092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1092
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)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

C260-1092

Molecular Formula

C30H30N4O6 (C30 H30 N4 O6)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethylphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)butanamide

SMILES

CCc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C30H30N4O6/c1-2-20-9-12-22(13-10-20)32-28(36)18-34-24-7-4-3-6-23(24)29(37)33(30(34)38)15-5-8-27(35)31-17-21-11-14-25-26(16-21)40-19-39-25/h3-4,6-7,9-14,16H,2,5,8,15,17-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

SJSBFWPSDGXFQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737574

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

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.82

Polar Surface Area

95.982

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C260-1092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C260-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1092?
Check Price and Availability of C260-1092, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C260-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1092
  • 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 C260-1092 available by request