C688-1031 Screening compound: 2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide

C688-1031 Screening compound: 2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide
C688-1031 Screening compound: 2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1031
2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)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

C688-1031

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(CN(c1c(C(N2CCc3ccccc3)=O)sc3c1cccc3)C2=O)=O

InChI

InChI=1S/C27H23N3O4S/c1-34-21-13-7-6-12-20(21)28-23(31)17-30-24-19-11-5-8-14-22(19)35-25(24)26(32)29(27(30)33)16-15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,28,31)

InChI Key

WFNREWVJWQSYRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-5.18

Polar Surface Area

63.231

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C688-1031 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C688-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1031?
Check Price and Availability of C688-1031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C688-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1031
  • 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 C688-1031 available by request