C241-1403 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]butanamide

C241-1403 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]butanamide
C241-1403 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1403
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]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

C241-1403

Molecular Formula

C28H32N4O6S (C28 H32 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]butanamide

SMILES

O=C(CCCN(C(c(scc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H32N4O6S/c33-24(30-16-20-8-9-22-23(15-20)38-18-37-22)7-4-13-31-27(35)26-21(11-14-39-26)32(28(31)36)17-25(34)29-12-10-19-5-2-1-3-6-19/h5,8-9,11,14-15H,1-4,6-7,10,12-13,16-18H2,(H,29,34)(H,30,33)

InChI Key

HGXAQYNTNZRZMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.65

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

2.599

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-3.11

Polar Surface Area

98.356

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C241-1403 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C241-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1403?
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What is the minimum amount of C241-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1403
  • 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 C241-1403 available by request