C260-1777 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide

C260-1777 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]propanamide
C260-1777 Screening compound: N-[2-(benzylsulfanyl)ethyl]-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 C260-1777
N-[2-(benzylsulfanyl)ethyl]-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

C260-1777

Molecular Formula

C30H36N4O4S (C30 H36 N4 O4 S)

Compound Name

N-[2-(benzylsulfanyl)ethyl]-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-[2-(benzylsulfanyl)ethyl]-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)NCCSCc1ccccc1

InChI

InChI=1S/C30H36N4O4S/c35-27(32-18-20-39-22-24-11-5-2-6-12-24)16-19-33-29(37)25-13-7-8-14-26(25)34(30(33)38)21-28(36)31-17-15-23-9-3-1-4-10-23/h2,5-9,11-14H,1,3-4,10,15-22H2,(H,31,36)(H,32,35)

InChI Key

UQLDZUJIZCEFLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.70

Polar Surface Area

80.063

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C260-1777 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 C260-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1777?
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What is the minimum amount of C260-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1777
  • 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 C260-1777 available by request