C260-2596 Screening compound: 3-(1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

C260-2596 Screening compound: 3-(1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide
C260-2596 Screening compound: 3-(1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2596
3-(1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)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

C260-2596

Molecular Formula

C29H28N4O6 (C29 H28 N4 O6)

Compound Name

3-(1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

IUPAC name

3-(1-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1CC(Nc(cc2)cc3c2OCCO3)=O)=O)C1=O)NCCc1ccccc1

InChI

InChI=1S/C29H28N4O6/c34-26(30-14-12-20-6-2-1-3-7-20)13-15-32-28(36)22-8-4-5-9-23(22)33(29(32)37)19-27(35)31-21-10-11-24-25(18-21)39-17-16-38-24/h1-11,18H,12-17,19H2,(H,30,34)(H,31,35)

InChI Key

ZHMPMJPSYUTYQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.76

Polar Surface Area

94.531

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-2596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2596?
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What is the minimum amount of C260-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2596
  • 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 C260-2596 available by request