C260-1041 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide

C260-1041 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide
C260-1041 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1041
N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]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

C260-1041

Molecular Formula

C33H41N5O4 (C33 H41 N5 O4)

Compound Name

N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C33H41N5O4/c39-30(35-27-16-20-36(21-17-27)23-26-11-5-2-6-12-26)18-22-37-32(41)28-13-7-8-14-29(28)38(33(37)42)24-31(40)34-19-15-25-9-3-1-4-10-25/h2,5-9,11-14,27H,1,3-4,10,15-24H2,(H,34,40)(H,35,39)

InChI Key

LMPFVUAKGGRPEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

1.331

Water Solubility, LogSw

-3.66

Polar Surface Area

83.488

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C260-1041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C260-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1041?
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What is the minimum amount of C260-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1041
  • 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 C260-1041 available by request