C260-1272 Screening compound: N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

C260-1272 Screening compound: N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide
C260-1272 Screening compound: N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1272
N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)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

C260-1272

Molecular Formula

C36H36N4O3 (C36 H36 N4 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-({1-[(3-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}methyl)benzamide

SMILES

Cc1cccc(CN(c(cccc2)c2C(N2Cc(cc3)ccc3C(NC3CCN(Cc4ccccc4)CC3)=O)=O)C2=O)c1

InChI

InChI=1S/C36H36N4O3/c1-26-8-7-11-29(22-26)25-39-33-13-6-5-12-32(33)35(42)40(36(39)43)24-28-14-16-30(17-15-28)34(41)37-31-18-20-38(21-19-31)23-27-9-3-2-4-10-27/h2-17,22,31H,18-21,23-25H2,1H3,(H,37,41)

InChI Key

SXARTAIVYZOEJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-5.45

Polar Surface Area

58.946

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C260-1272 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C260-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1272?
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What is the minimum amount of C260-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1272
  • 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 C260-1272 available by request