C200-1055 Screening compound: N~1~-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide

C200-1055 Screening compound: N~1~-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
C200-1055 Screening compound: N~1~-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1055
N~1~-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-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

C200-1055

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

N~1~-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

N-cyclopentyl-2-[4-(24-dimethoxyphenyl)-35-dioxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]acetamide

SMILES

COc(cc1)cc(OC)c1N(C(c1c(N2CC(NC3CCCC3)=O)sc3c1CCCC3)=O)C2=O

InChI

InChI=1S/C25H29N3O5S/c1-32-16-11-12-18(19(13-16)33-2)28-23(30)22-17-9-5-6-10-20(17)34-24(22)27(25(28)31)14-21(29)26-15-7-3-4-8-15/h11-13,15H,3-10,14H2,1-2H3,(H,26,29)

InChI Key

TZNWSMPYMZVGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.50

Polar Surface Area

70.464

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C200-1055 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C200-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1055?
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What is the minimum amount of C200-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1055
  • 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 C200-1055 available by request