C688-1407 Screening compound: N~1~-(2,4-dimethoxyphenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1407 Screening compound: N~1~-(2,4-dimethoxyphenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1407 Screening compound: N~1~-(2,4-dimethoxyphenyl)-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 C688-1407
N~1~-(2,4-dimethoxyphenyl)-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

C688-1407

Molecular Formula

C25H21N3O6S (C25 H21 N3 O6 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-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

COc(cc1)cc(OC)c1NC(CN(c1c(C(N2Cc3ccco3)=O)sc3c1cccc3)C2=O)=O

InChI

InChI=1S/C25H21N3O6S/c1-32-15-9-10-18(19(12-15)33-2)26-21(29)14-27-22-17-7-3-4-8-20(17)35-23(22)24(30)28(25(27)31)13-16-6-5-11-34-16/h3-12H,13-14H2,1-2H3,(H,26,29)

InChI Key

DYIUFKGSUCUDGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.37

Polar Surface Area

78.545

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C688-1407 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C688-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1407?
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What is the minimum amount of C688-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1407
  • 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 C688-1407 available by request