C260-1148 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

C260-1148 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
C260-1148 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1148
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

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

C260-1148

Molecular Formula

C31H26N4O7 (C31 H26 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C31H26N4O7/c36-28(32-16-23-4-3-13-40-23)18-34-25-6-2-1-5-24(25)30(38)35(31(34)39)17-20-7-10-22(11-8-20)29(37)33-15-21-9-12-26-27(14-21)42-19-41-26/h1-14H,15-19H2,(H,32,36)(H,33,37)

InChI Key

VYMZFZOTJLJEHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.85

Polar Surface Area

105.016

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

C260-1148 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1148?
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What is the minimum amount of C260-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1148
  • 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 C260-1148 available by request