C688-1427 Screening compound: N~1~-(2,4-difluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1427 Screening compound: N~1~-(2,4-difluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1427 Screening compound: N~1~-(2,4-difluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1427
N~1~-(2,4-difluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

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

C688-1427

Molecular Formula

C23H15F2N3O4S (C23 H15 F2 N3 O4 S)

Compound Name

N~1~-(2,4-difluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

N-(24-difluorophenyl)-2-{5-[(furan-2-yl)methyl]-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl}acetamide

SMILES

O=C(CN(c1c(C(N2Cc3ccco3)=O)sc3c1cccc3)C2=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C23H15F2N3O4S/c24-13-7-8-17(16(25)10-13)26-19(29)12-27-20-15-5-1-2-6-18(15)33-21(20)22(30)28(23(27)31)11-14-4-3-9-32-14/h1-10H,11-12H2,(H,26,29)

InChI Key

RQLVPDSRVLXJSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.41

Polar Surface Area

63.371

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C688-1427 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C688-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1427?
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What is the minimum amount of C688-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1427
  • 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 C688-1427 available by request