C200-1054 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-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

C200-1054 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-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
C200-1054 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-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 C200-1054
N~1~-[2-(1-cyclohexenyl)ethyl]-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

C200-1054

Molecular Formula

C28H33N3O5S (C28 H33 N3 O5 S)

Compound Name

N~1~-[2-(1-cyclohexenyl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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(NCCC3=CCCCC3)=O)sc3c1CCCC3)=O)C2=O

InChI

InChI=1S/C28H33N3O5S/c1-35-19-12-13-21(22(16-19)36-2)31-26(33)25-20-10-6-7-11-23(20)37-27(25)30(28(31)34)17-24(32)29-15-14-18-8-4-3-5-9-18/h8,12-13,16H,3-7,9-11,14-15,17H2,1-2H3,(H,29,32)

InChI Key

MPEHKINVGBIGMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.50

Polar Surface Area

70.406

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C200-1054 in Drug Discovery

Included in Screening Libraries

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 C200-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1054?
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What is the minimum amount of C200-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1054
  • 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 C200-1054 available by request