C200-1005 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C200-1005 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C200-1005 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1005
3-(2,4-dimethoxyphenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

C200-1005

Molecular Formula

C26H26N2O4S (C26 H26 N2 O4 S)

Compound Name

3-(2,4-dimethoxyphenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

4-(24-dimethoxyphenyl)-6-[(2-methylphenyl)methyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

Cc1c(CN(c(sc2c3CCCC2)c3C(N2c(ccc(OC)c3)c3OC)=O)C2=O)cccc1

InChI

InChI=1S/C26H26N2O4S/c1-16-8-4-5-9-17(16)15-27-25-23(19-10-6-7-11-22(19)33-25)24(29)28(26(27)30)20-13-12-18(31-2)14-21(20)32-3/h4-5,8-9,12-14H,6-7,10-11,15H2,1-3H3

InChI Key

QNPAYGKSVZRZRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.878

Water Solubility, LogSw

-5.47

Polar Surface Area

45.901

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C200-1005 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 C200-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1005?
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What is the minimum amount of C200-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1005
  • 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 C200-1005 available by request