C688-1123 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide

C688-1123 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide
C688-1123 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1123
2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)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

C688-1123

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN(c1c(C(N2Cc3ccccc3)=O)sc3c1cccc3)C2=O)=O

InChI

InChI=1S/C26H21N3O3S/c1-17-9-5-7-13-20(17)27-22(30)16-28-23-19-12-6-8-14-21(19)33-24(23)25(31)29(26(28)32)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,27,30)

InChI Key

IJRPVWSXGGCEGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.75

Polar Surface Area

55.622

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C688-1123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C688-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1123?
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What is the minimum amount of C688-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1123
  • 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 C688-1123 available by request