C241-1445 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

C241-1445 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
C241-1445 Screening compound: N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)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 C241-1445
N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)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

C241-1445

Molecular Formula

C22H20N4O6S (C22 H20 N4 O6 S)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}butanamide

SMILES

[O-][N+](c1ccc(CN(c2c(C(N3CCCC(NCc4ccco4)=O)=O)scc2)C3=O)cc1)=O

InChI

InChI=1S/C22H20N4O6S/c27-19(23-13-17-3-2-11-32-17)4-1-10-24-21(28)20-18(9-12-33-20)25(22(24)29)14-15-5-7-16(8-6-15)26(30)31/h2-3,5-9,11-12H,1,4,10,13-14H2,(H,23,27)

InChI Key

ZSIZZQOWFXXMQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.55

Polar Surface Area

97.865

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C241-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1445?
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What is the minimum amount of C241-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1445
  • 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 C241-1445 available by request