C241-1360 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

C241-1360 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
C241-1360 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1360
4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]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

C241-1360

Molecular Formula

C28H34N4O4S (C28 H34 N4 O4 S)

Compound Name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

IUPAC name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN(C(c(scc2)c2N2CC(NCCC3=CCCCC3)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C28H34N4O4S/c1-20-9-11-22(12-10-20)18-30-24(33)8-5-16-31-27(35)26-23(14-17-37-26)32(28(31)36)19-25(34)29-15-13-21-6-3-2-4-7-21/h6,9-12,14,17H,2-5,7-8,13,15-16,18-19H2,1H3,(H,29,34)(H,30,33)

InChI Key

SWJMXPQZFQPPIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.36

Polar Surface Area

81.240

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C241-1360 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C241-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1360?
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What is the minimum amount of C241-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1360
  • 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 C241-1360 available by request