C688-1025 Screening compound: N~1~-cyclohexyl-2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1025 Screening compound: N~1~-cyclohexyl-2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1025 Screening compound: N~1~-cyclohexyl-2-[2,4-dioxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1025
N~1~-cyclohexyl-2-[2,4-dioxo-3-phenethyl-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

C688-1025

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

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

IUPAC name

N-cyclohexyl-2-[46-dioxo-5-(2-phenylethyl)-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(N2CCc3ccccc3)=O)sc3c1cccc3)C2=O)NC1CCCCC1

InChI

InChI=1S/C26H27N3O3S/c30-22(27-19-11-5-2-6-12-19)17-29-23-20-13-7-8-14-21(20)33-24(23)25(31)28(26(29)32)16-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,27,30)

InChI Key

APXUXHKLYDAUSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-5.46

Polar Surface Area

57.346

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C688-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1025?
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What is the minimum amount of C688-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1025
  • 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 C688-1025 available by request