C260-1168 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-1168 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-1168 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1168
N-(1-benzylpiperidin-4-yl)-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

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

C260-1168

Molecular Formula

C31H39N5O4 (C31 H39 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NC2CCCC2)=O)=O)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C31H39N5O4/c37-28(32-25-16-19-34(20-17-25)21-23-9-2-1-3-10-23)15-8-18-35-30(39)26-13-6-7-14-27(26)36(31(35)40)22-29(38)33-24-11-4-5-12-24/h1-3,6-7,9-10,13-14,24-25H,4-5,8,11-12,15-22H2,(H,32,37)(H,33,38)

InChI Key

CEJONSDKAYUEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

0.699

Water Solubility, LogSw

-2.99

Polar Surface Area

83.545

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

C260-1168 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C260-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1168?
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What is the minimum amount of C260-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1168
  • 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 C260-1168 available by request