C241-2009 Screening compound: N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

C241-2009 Screening compound: N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide
C241-2009 Screening compound: N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2009
N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

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

C241-2009

Molecular Formula

C26H25FN4O5S (C26 H25 FN4 O5 S)

Compound Name

N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}hexanamide

SMILES

[O-][N+](c1cccc(CN(c2c(C(N3CCCCCC(NCc(cc4)ccc4F)=O)=O)scc2)C3=O)c1)=O

InChI

InChI=1S/C26H25FN4O5S/c27-20-10-8-18(9-11-20)16-28-23(32)7-2-1-3-13-29-25(33)24-22(12-14-37-24)30(26(29)34)17-19-5-4-6-21(15-19)31(35)36/h4-6,8-12,14-15H,1-3,7,13,16-17H2,(H,28,32)

InChI Key

XAXKIVRVDFSJAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.26

Polar Surface Area

90.117

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C241-2009 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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 C241-2009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2009?
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What is the minimum amount of C241-2009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2009
  • 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 C241-2009 available by request