C241-2007 Screening compound: 6-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]hexanamide

C241-2007 Screening compound: 6-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]hexanamide
C241-2007 Screening compound: 6-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2007
6-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]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

C241-2007

Molecular Formula

C28H26FN5O4S (C28 H26 FN5 O4 S)

Compound Name

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

IUPAC name

6-[24-dioxo-1-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(N=C2N3C=CC=C2)=CC3=O)=O)C1=O)NCc(cc1)ccc1F

InChI

InChI=1S/C28H26FN5O4S/c29-20-10-8-19(9-11-20)17-30-24(35)7-2-1-4-14-33-27(37)26-22(12-15-39-26)34(28(33)38)18-21-16-25(36)32-13-5-3-6-23(32)31-21/h3,5-6,8-13,15-16H,1-2,4,7,14,17-18H2,(H,30,35)

InChI Key

XMWKIGYGVRQALD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.36

Polar Surface Area

82.722

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C241-2007 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 C241-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2007?
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What is the minimum amount of C241-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2007
  • 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 C241-2007 available by request