C260-2012 Screening compound: 2-(4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide

C260-2012 Screening compound: 2-(4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide
C260-2012 Screening compound: 2-(4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2012
2-(4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide

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

C260-2012

Molecular Formula

C28H26FN3O4 (C28 H26 FN3 O4)

Compound Name

2-(4-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-(4-{1-[(4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}phenyl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(Cc(cc1)ccc1N(C(c(cccc1)c1N1Cc(cc2)ccc2F)=O)C1=O)NCC1OCCC1

InChI

InChI=1S/C28H26FN3O4/c29-21-11-7-20(8-12-21)18-31-25-6-2-1-5-24(25)27(34)32(28(31)35)22-13-9-19(10-14-22)16-26(33)30-17-23-4-3-15-36-23/h1-2,5-14,23H,3-4,15-18H2,(H,30,33)/t23-/m1/s1

InChI Key

PXDGPOSWEHASQU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14738319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.97

Polar Surface Area

63.510

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C260-2012 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C260-2012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2012?
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What is the minimum amount of C260-2012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2012
  • 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 C260-2012 available by request