C260-1096 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide

C260-1096 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide
C260-1096 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1096
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}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

C260-1096

Molecular Formula

C30H34N4O6 (C30 H34 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C30H34N4O6/c35-27(32-18-22-12-13-25-26(17-22)40-20-39-25)11-6-16-33-29(37)23-9-4-5-10-24(23)34(30(33)38)19-28(36)31-15-14-21-7-2-1-3-8-21/h4-5,7,9-10,12-13,17H,1-3,6,8,11,14-16,18-20H2,(H,31,36)(H,32,35)

InChI Key

KHXBOMDIXRFMGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-3.15

Polar Surface Area

97.337

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C260-1096 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C260-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1096?
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What is the minimum amount of C260-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1096
  • 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 C260-1096 available by request