C688-1338 Screening compound: N~1~-cyclohexyl-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1338 Screening compound: N~1~-cyclohexyl-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1338 Screening compound: N~1~-cyclohexyl-2-[3-(4-methoxyphenyl)-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 C688-1338
N~1~-cyclohexyl-2-[3-(4-methoxyphenyl)-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

C688-1338

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-cyclohexyl-2-[5-(4-methoxyphenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]acetamide

SMILES

COc(cc1)ccc1N(C(c(sc1c2cccc1)c2N1CC(NC2CCCCC2)=O)=O)C1=O

InChI

InChI=1S/C25H25N3O4S/c1-32-18-13-11-17(12-14-18)28-24(30)23-22(19-9-5-6-10-20(19)33-23)27(25(28)31)15-21(29)26-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,26,29)

InChI Key

JBCOBQVVKPTXMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.23

Polar Surface Area

64.300

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C688-1338 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C688-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1338?
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What is the minimum amount of C688-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1338
  • 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 C688-1338 available by request